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Filtered Search Results
2-Methoxy-beta-estradiol 97.0+%, TCI America™
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CAS: 362-07-2 Molecular Formula: C19H26O3 Molecular Weight (g/mol): 302.414 MDL Number: MFCD00010489 InChI Key: CQOQDQWUFQDJMK-SSTWWWIQSA-N Synonym: 2-methoxyestradiol,panzem,2-methoxyestradiol-17beta,2-hydroxyestradol 2-methyl ether,estradiol, 2-methoxy,2-hydroxyestradiol 2-methyl ether,pulmolar,2-methoxyestra-1,3,5 10-triene-3,17beta-diol,panzem ncd,2-methoxy-17beta-estradiol PubChem CID: 66414 ChEBI: CHEBI:28955 IUPAC Name: (8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O
| PubChem CID | 66414 |
|---|---|
| CAS | 362-07-2 |
| Molecular Weight (g/mol) | 302.414 |
| ChEBI | CHEBI:28955 |
| MDL Number | MFCD00010489 |
| SMILES | CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O |
| Synonym | 2-methoxyestradiol,panzem,2-methoxyestradiol-17beta,2-hydroxyestradol 2-methyl ether,estradiol, 2-methoxy,2-hydroxyestradiol 2-methyl ether,pulmolar,2-methoxyestra-1,3,5 10-triene-3,17beta-diol,panzem ncd,2-methoxy-17beta-estradiol |
| IUPAC Name | (8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| InChI Key | CQOQDQWUFQDJMK-SSTWWWIQSA-N |
| Molecular Formula | C19H26O3 |
Fluorometholone 98.0+%, TCI America™
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CAS: 426-13-1 Molecular Formula: C22H29FO4 Molecular Weight (g/mol): 376.468 MDL Number: MFCD00056461 InChI Key: FAOZLTXFLGPHNG-KNAQIMQKSA-N Synonym: fluorometholone,oxylone,flumetholon,fluormetholone,fml liquifilm,fluor-op,cortilet,delmeson,trilcin,fml forte PubChem CID: 9878 ChEBI: CHEBI:31625 IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
| PubChem CID | 9878 |
|---|---|
| CAS | 426-13-1 |
| Molecular Weight (g/mol) | 376.468 |
| ChEBI | CHEBI:31625 |
| MDL Number | MFCD00056461 |
| SMILES | CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O |
| Synonym | fluorometholone,oxylone,flumetholon,fluormetholone,fml liquifilm,fluor-op,cortilet,delmeson,trilcin,fml forte |
| IUPAC Name | (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| InChI Key | FAOZLTXFLGPHNG-KNAQIMQKSA-N |
| Molecular Formula | C22H29FO4 |
Mifepristone 98.0+%, TCI America™
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CAS: 84371-65-3 Molecular Formula: C29H35NO2 Molecular Weight (g/mol): 429.604 InChI Key: VKHAHZOOUSRJNA-GCNJZUOMSA-N Synonym: mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish PubChem CID: 55245 ChEBI: CHEBI:50692 IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
| PubChem CID | 55245 |
|---|---|
| CAS | 84371-65-3 |
| Molecular Weight (g/mol) | 429.604 |
| ChEBI | CHEBI:50692 |
| SMILES | CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O |
| Synonym | mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish |
| IUPAC Name | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
| InChI Key | VKHAHZOOUSRJNA-GCNJZUOMSA-N |
| Molecular Formula | C29H35NO2 |
Cortexolone 98.0+%, TCI America™
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CAS: 152-58-9 Molecular Formula: C21H30O4 Molecular Weight (g/mol): 346.467 MDL Number: MFCD00003662 InChI Key: WHBHBVVOGNECLV-OBQKJFGGSA-N Synonym: cortexolone,cortodoxone,11-deoxycortisol,11-desoxycortisol,reichstein's substance s,cortisol, 11-deoxy,17,21-dihydroxypregn-4-ene-3,20-dione,reichstein s,substance s,pregn-4-ene-3,20-dione, 17,21-dihydroxy PubChem CID: 440707 ChEBI: CHEBI:28324 IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C
| PubChem CID | 440707 |
|---|---|
| CAS | 152-58-9 |
| Molecular Weight (g/mol) | 346.467 |
| ChEBI | CHEBI:28324 |
| MDL Number | MFCD00003662 |
| SMILES | CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C |
| Synonym | cortexolone,cortodoxone,11-deoxycortisol,11-desoxycortisol,reichstein's substance s,cortisol, 11-deoxy,17,21-dihydroxypregn-4-ene-3,20-dione,reichstein s,substance s,pregn-4-ene-3,20-dione, 17,21-dihydroxy |
| IUPAC Name | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| InChI Key | WHBHBVVOGNECLV-OBQKJFGGSA-N |
| Molecular Formula | C21H30O4 |
Allylestrenol 98.0+%, TCI America™
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CAS: 432-60-0 Molecular Formula: C21H32O Molecular Weight (g/mol): 300.49 MDL Number: MFCD00198957 InChI Key: ATXHVCQZZJYMCF-XUDSTZEESA-N Synonym: 17alpha-Allyl-4-estren-17beta-ol PubChem CID: 235905 ChEBI: CHEBI:31189 IUPAC Name: (1R,3aS,3bR,9aR,9bS,11aS)-11a-methyl-1-(prop-2-en-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C
| PubChem CID | 235905 |
|---|---|
| CAS | 432-60-0 |
| Molecular Weight (g/mol) | 300.49 |
| ChEBI | CHEBI:31189 |
| MDL Number | MFCD00198957 |
| SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C |
| Synonym | 17alpha-Allyl-4-estren-17beta-ol |
| IUPAC Name | (1R,3aS,3bR,9aR,9bS,11aS)-11a-methyl-1-(prop-2-en-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol |
| InChI Key | ATXHVCQZZJYMCF-XUDSTZEESA-N |
| Molecular Formula | C21H32O |
Betamethasone 98.0+%, TCI America™
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CAS: 378-44-9 Molecular Formula: C22H29FO5 Molecular Weight (g/mol): 392.467 MDL Number: MFCD00062969 InChI Key: UREBDLICKHMUKA-DVTGEIKXSA-N Synonym: betamethasone,betadexamethasone,flubenisolone,celestone,betamethazone,rinderon,betacorlan,betacortril,betamamallet,betametasone PubChem CID: 9782 ChEBI: CHEBI:3077 IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
| PubChem CID | 9782 |
|---|---|
| CAS | 378-44-9 |
| Molecular Weight (g/mol) | 392.467 |
| ChEBI | CHEBI:3077 |
| MDL Number | MFCD00062969 |
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C |
| Synonym | betamethasone,betadexamethasone,flubenisolone,celestone,betamethazone,rinderon,betacorlan,betacortril,betamamallet,betametasone |
| IUPAC Name | (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| InChI Key | UREBDLICKHMUKA-DVTGEIKXSA-N |
| Molecular Formula | C22H29FO5 |
Desogestrel 98.0+%, TCI America™
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CAS: 54024-22-5 Molecular Formula: C22H30O Molecular Weight (g/mol): 310.48 MDL Number: MFCD00869346 InChI Key: RPLCPCMSCLEKRS-BPIQYHPVSA-N Synonym: 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol PubChem CID: 40973 ChEBI: CHEBI:4453 IUPAC Name: (1R,3aS,3bS,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-10-methylidene-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol SMILES: CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
| PubChem CID | 40973 |
|---|---|
| CAS | 54024-22-5 |
| Molecular Weight (g/mol) | 310.48 |
| ChEBI | CHEBI:4453 |
| MDL Number | MFCD00869346 |
| SMILES | CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |
| Synonym | 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol |
| IUPAC Name | (1R,3aS,3bS,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-10-methylidene-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol |
| InChI Key | RPLCPCMSCLEKRS-BPIQYHPVSA-N |
| Molecular Formula | C22H30O |
Mandelonitrile 97.0+%, TCI America™
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CAS: 532-28-5 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00004487 InChI Key: NNICRUQPODTGRU-UHFFFAOYNA-N Synonym: mandelonitrile,benzaldehyde cyanohydrin,amygdalonitrile,phenylglycolonitrile,mandelic acid nitrile,glycolonitrile, phenyl,benzaldehydkyanhydrin,acetonitrile, hydroxyphenyl,nitril kyseliny mandlove,alpha-hydroxybenzeneacetonitrile PubChem CID: 10758 ChEBI: CHEBI:16910 IUPAC Name: 2-hydroxy-2-phenylacetonitrile SMILES: OC(C#N)C1=CC=CC=C1
| PubChem CID | 10758 |
|---|---|
| CAS | 532-28-5 |
| Molecular Weight (g/mol) | 133.15 |
| ChEBI | CHEBI:16910 |
| MDL Number | MFCD00004487 |
| SMILES | OC(C#N)C1=CC=CC=C1 |
| Synonym | mandelonitrile,benzaldehyde cyanohydrin,amygdalonitrile,phenylglycolonitrile,mandelic acid nitrile,glycolonitrile, phenyl,benzaldehydkyanhydrin,acetonitrile, hydroxyphenyl,nitril kyseliny mandlove,alpha-hydroxybenzeneacetonitrile |
| IUPAC Name | 2-hydroxy-2-phenylacetonitrile |
| InChI Key | NNICRUQPODTGRU-UHFFFAOYNA-N |
| Molecular Formula | C8H7NO |
Hydrocortisone 17-Butyrate 98.0+%, TCI America™
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CAS: 13609-67-1 Molecular Formula: C25H36O6 Molecular Weight (g/mol): 432.557 MDL Number: MFCD00083364 InChI Key: BMCQMVFGOVHVNG-TUFAYURCSA-N Synonym: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-Butyrate, Cortisol 17-Butyrate PubChem CID: 26133 ChEBI: CHEBI:31674 IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate SMILES: CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
| PubChem CID | 26133 |
|---|---|
| CAS | 13609-67-1 |
| Molecular Weight (g/mol) | 432.557 |
| ChEBI | CHEBI:31674 |
| MDL Number | MFCD00083364 |
| SMILES | CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO |
| Synonym | 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-Butyrate, Cortisol 17-Butyrate |
| IUPAC Name | [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate |
| InChI Key | BMCQMVFGOVHVNG-TUFAYURCSA-N |
| Molecular Formula | C25H36O6 |
Dienogest 98.0+%, TCI America™
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CAS: 65928-58-7 Molecular Formula: C20H25NO2 Molecular Weight (g/mol): 311.425 MDL Number: MFCD00868356 InChI Key: AZFLJNIPTRTECV-FUMNGEBKSA-N Synonym: 17alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, 17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, 17-Cyanomethyl-17-hydroxy-estra-4,9-dien-3-one PubChem CID: 68861 ChEBI: CHEBI:70708 IUPAC Name: 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile SMILES: CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O
| PubChem CID | 68861 |
|---|---|
| CAS | 65928-58-7 |
| Molecular Weight (g/mol) | 311.425 |
| ChEBI | CHEBI:70708 |
| MDL Number | MFCD00868356 |
| SMILES | CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O |
| Synonym | 17alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, 17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, 17-Cyanomethyl-17-hydroxy-estra-4,9-dien-3-one |
| IUPAC Name | 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile |
| InChI Key | AZFLJNIPTRTECV-FUMNGEBKSA-N |
| Molecular Formula | C20H25NO2 |
Chlormadinone Acetate 97.0+%, TCI America™
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Lynestrenol 98.0+%, TCI America™
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CAS: 52-76-6 Molecular Formula: C20H28O Molecular Weight (g/mol): 284.443 MDL Number: MFCD00051135 InChI Key: YNVGQYHLRCDXFQ-XGXHKTLJSA-N Synonym: 19-Nor-4-pregnen-20-yn-17beta-ol PubChem CID: 5857 ChEBI: CHEBI:31790 IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34
| PubChem CID | 5857 |
|---|---|
| CAS | 52-76-6 |
| Molecular Weight (g/mol) | 284.443 |
| ChEBI | CHEBI:31790 |
| MDL Number | MFCD00051135 |
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34 |
| Synonym | 19-Nor-4-pregnen-20-yn-17beta-ol |
| IUPAC Name | (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol |
| InChI Key | YNVGQYHLRCDXFQ-XGXHKTLJSA-N |
| Molecular Formula | C20H28O |
Fusidic Acid 97.0+%, TCI America™
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CAS: 6990-06-3 Molecular Formula: C31H48O6 Molecular Weight (g/mol): 516.72 MDL Number: MFCD00865135 InChI Key: IECPWNUMDGFDKC-MZJAQBGESA-N Synonym: fusidic acid,fusidine,ramycin,fucithalmic,fucidic acid,fucidin acid,fusidate,fucidin,flucidin,fucidate PubChem CID: 3000226 ChEBI: CHEBI:29013 IUPAC Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid SMILES: CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C
| PubChem CID | 3000226 |
|---|---|
| CAS | 6990-06-3 |
| Molecular Weight (g/mol) | 516.72 |
| ChEBI | CHEBI:29013 |
| MDL Number | MFCD00865135 |
| SMILES | CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C |
| Synonym | fusidic acid,fusidine,ramycin,fucithalmic,fucidic acid,fucidin acid,fusidate,fucidin,flucidin,fucidate |
| IUPAC Name | (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid |
| InChI Key | IECPWNUMDGFDKC-MZJAQBGESA-N |
| Molecular Formula | C31H48O6 |
Limonin 95.0+%, TCI America™
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CAS: 1180-71-8 Molecular Formula: C26H30O8 Molecular Weight (g/mol): 470.52 MDL Number: MFCD00075922 InChI Key: KBDSLGBFQAGHBE-MSGMIQHVSA-N Synonym: limonin,dictamnolactone,obaculactone,citrolimonin,evodin,7,16-dioxo-7,16-dideoxylimondiol,limoni,limonoic acid, di-delta-lactone,limonine,limonoate d-ring-lactone PubChem CID: 179651 ChEBI: CHEBI:16226 IUPAC Name: (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione SMILES: CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
| PubChem CID | 179651 |
|---|---|
| CAS | 1180-71-8 |
| Molecular Weight (g/mol) | 470.52 |
| ChEBI | CHEBI:16226 |
| MDL Number | MFCD00075922 |
| SMILES | CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1 |
| Synonym | limonin,dictamnolactone,obaculactone,citrolimonin,evodin,7,16-dioxo-7,16-dideoxylimondiol,limoni,limonoic acid, di-delta-lactone,limonine,limonoate d-ring-lactone |
| IUPAC Name | (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione |
| InChI Key | KBDSLGBFQAGHBE-MSGMIQHVSA-N |
| Molecular Formula | C26H30O8 |
Calciferol 98.0+%, TCI America™
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CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S,3E)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
| PubChem CID | 134129658 |
|---|---|
| CAS | 50-14-6 |
| Molecular Weight (g/mol) | 396.66 |
| MDL Number | MFCD00166988,MFCD11656674 |
| SMILES | CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C |
| Synonym | ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina |
| IUPAC Name | (1S,3E)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol |
| InChI Key | MECHNRXZTMCUDQ-VLOQVYPSSA-N |
| Molecular Formula | C28H44O |