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beta-Butyrolactone, Spectrum™ Chemical
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CAS: 3068-88-0
| CAS | 3068-88-0 |
|---|
alpha-Methylene-gamma-butyrolactone, 95%, stabilized, Thermo Scientific Chemicals
CAS: 547-65-9 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.1 MDL Number: MFCD00005407 InChI Key: GSLDEZOOOSBFGP-UHFFFAOYSA-N Synonym: 2-methylenebutyrolactone,alpha-methylene-gamma-butyrolactone,3-methylenedihydro-2 3h-furanone,tulipalin a,tulipane,2 3h-furanone, dihydro-3-methylene,dihydro-3-methylene-2 3h-furanone,alpha-methylene butyrolactone,3-methylenedihydrofuran-2 3h-one,alpha-methylene gamma-butyrolactone PubChem CID: 68352 ChEBI: CHEBI:104120 IUPAC Name: 3-methylideneoxolan-2-one SMILES: C=C1CCOC1=O
| PubChem CID | 68352 |
|---|---|
| CAS | 547-65-9 |
| Molecular Weight (g/mol) | 98.1 |
| ChEBI | CHEBI:104120 |
| MDL Number | MFCD00005407 |
| SMILES | C=C1CCOC1=O |
| Synonym | 2-methylenebutyrolactone,alpha-methylene-gamma-butyrolactone,3-methylenedihydro-2 3h-furanone,tulipalin a,tulipane,2 3h-furanone, dihydro-3-methylene,dihydro-3-methylene-2 3h-furanone,alpha-methylene butyrolactone,3-methylenedihydrofuran-2 3h-one,alpha-methylene gamma-butyrolactone |
| IUPAC Name | 3-methylideneoxolan-2-one |
| InChI Key | GSLDEZOOOSBFGP-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
2,3-O-Isopropylidene-D-erythronolactone, 98%, Thermo Scientific Chemicals
CAS: 25581-41-3 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00134440 InChI Key: WHPSMBYLYRPVGU-UHFFFAOYNA-N Synonym: 2,3-o-isopropylidene-d-erythronolactone,--2,3-o-isopropylidene-d-erythronolactone,3ar,6ar-2,2-dimethyldihydrofuro 3,4-d 1,3 dioxol-4 3ah-one,3ar,6ar-2,2-dimethyl-6,6a-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,3ar,6ar-2,2-dimethyl-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,pubchem19725,2,3-o-isopropylidene-d-erythronolactol,d-2,3-o-isopropylidene-erythronic acid,a-lactone,2-o,3-o-isopropylidene-d-erythronic acid gamma-lactone PubChem CID: 386843 IUPAC Name: (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one SMILES: CC1(C)OC2COC(=O)C2O1
| PubChem CID | 386843 |
|---|---|
| CAS | 25581-41-3 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00134440 |
| SMILES | CC1(C)OC2COC(=O)C2O1 |
| Synonym | 2,3-o-isopropylidene-d-erythronolactone,--2,3-o-isopropylidene-d-erythronolactone,3ar,6ar-2,2-dimethyldihydrofuro 3,4-d 1,3 dioxol-4 3ah-one,3ar,6ar-2,2-dimethyl-6,6a-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,3ar,6ar-2,2-dimethyl-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,pubchem19725,2,3-o-isopropylidene-d-erythronolactol,d-2,3-o-isopropylidene-erythronic acid,a-lactone,2-o,3-o-isopropylidene-d-erythronic acid gamma-lactone |
| IUPAC Name | (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one |
| InChI Key | WHPSMBYLYRPVGU-UHFFFAOYNA-N |
| Molecular Formula | C7H10O4 |
2,3,5-Tri-O-benzyl-D-ribono-1,4-lactone, Thermo Scientific Chemicals
CAS: 55094-52-5 Molecular Formula: C26H26O5 Molecular Weight (g/mol): 418.49 MDL Number: MFCD08703966 InChI Key: LDHBSABBBAUMCZ-UHFFFAOYNA-N IUPAC Name: 3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-one SMILES: O=C1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1
| CAS | 55094-52-5 |
|---|---|
| Molecular Weight (g/mol) | 418.49 |
| MDL Number | MFCD08703966 |
| SMILES | O=C1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1 |
| IUPAC Name | 3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-one |
| InChI Key | LDHBSABBBAUMCZ-UHFFFAOYNA-N |
| Molecular Formula | C26H26O5 |
Gibberellic acid, 98%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
gamma-Valerolactone, 98%
CAS: 108-29-2 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00005400 InChI Key: GAEKPEKOJKCEMS-UHFFFAOYSA-N Synonym: gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4 PubChem CID: 7921 ChEBI: CHEBI:48569 IUPAC Name: 5-methyloxolan-2-one SMILES: CC1CCC(=O)O1
| PubChem CID | 7921 |
|---|---|
| CAS | 108-29-2 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:48569 |
| MDL Number | MFCD00005400 |
| SMILES | CC1CCC(=O)O1 |
| Synonym | gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4 |
| IUPAC Name | 5-methyloxolan-2-one |
| InChI Key | GAEKPEKOJKCEMS-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Lovastatin, 97%
CAS: 75330-75-5 Molecular Formula: C24H36O5 Molecular Weight (g/mol): 404.55 MDL Number: MFCD00072164 InChI Key: PCZOHLXUXFIOCF-BXMDZJJMSA-N Synonym: lovastatin,mevinolin,mevacor,monacolin k,lovalip,altoprev,lovalord,mevinacor,nergadan,6alpha-methylcompactin PubChem CID: 53232 ChEBI: CHEBI:40303 IUPAC Name: (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
| PubChem CID | 53232 |
|---|---|
| CAS | 75330-75-5 |
| Molecular Weight (g/mol) | 404.55 |
| ChEBI | CHEBI:40303 |
| MDL Number | MFCD00072164 |
| SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |
| Synonym | lovastatin,mevinolin,mevacor,monacolin k,lovalip,altoprev,lovalord,mevinacor,nergadan,6alpha-methylcompactin |
| IUPAC Name | (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate |
| InChI Key | PCZOHLXUXFIOCF-BXMDZJJMSA-N |
| Molecular Formula | C24H36O5 |
gamma-Octanolactone, 98%
CAS: 104-50-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00005402 InChI Key: IPBFYZQJXZJBFQ-UHFFFAOYSA-N Synonym: gamma-octalactone,4-octanolide,5-butyldihydrofuran-2 3h-one,octanolide-1,4,2 3h-furanone, 5-butyldihydro,octan-4-olide,gamma-octanolactone,8-oxo-5-octanolide,gamma-octanoic lactone,5-butyltetrahydro-2-furanone PubChem CID: 7704 IUPAC Name: 5-butyloxolan-2-one SMILES: CCCCC1CCC(=O)O1
| PubChem CID | 7704 |
|---|---|
| CAS | 104-50-7 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00005402 |
| SMILES | CCCCC1CCC(=O)O1 |
| Synonym | gamma-octalactone,4-octanolide,5-butyldihydrofuran-2 3h-one,octanolide-1,4,2 3h-furanone, 5-butyldihydro,octan-4-olide,gamma-octanolactone,8-oxo-5-octanolide,gamma-octanoic lactone,5-butyltetrahydro-2-furanone |
| IUPAC Name | 5-butyloxolan-2-one |
| InChI Key | IPBFYZQJXZJBFQ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Gibberellic acid, 99%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
L(+)-Gulonic acid gamma-lactone, 95+%
CAS: 1128-23-0 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 InChI Key: SXZYCXMUPBBULW-SKNVOMKLSA-N Synonym: l-gulonolactone,l-gulono-1,4-lactone,l-gulonic acid gamma-lactone,3s,4r,5r-5-s-1,2-dihydroxyethyl-3,4-dihydroxydihydrofuran-2 3h-one,l-gulono-gamma-lactone,gamma-gulonolactone,l-gulonic gamma-lactone,l-+-gulono-1,4-lactone,l +-gulonic acid gamma-lactone,l-+-gulonic acid gamma-lactone PubChem CID: 439373 ChEBI: CHEBI:17587 IUPAC Name: (3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one SMILES: C(C(C1C(C(C(=O)O1)O)O)O)O
| PubChem CID | 439373 |
|---|---|
| CAS | 1128-23-0 |
| Molecular Weight (g/mol) | 178.14 |
| ChEBI | CHEBI:17587 |
| SMILES | C(C(C1C(C(C(=O)O1)O)O)O)O |
| Synonym | l-gulonolactone,l-gulono-1,4-lactone,l-gulonic acid gamma-lactone,3s,4r,5r-5-s-1,2-dihydroxyethyl-3,4-dihydroxydihydrofuran-2 3h-one,l-gulono-gamma-lactone,gamma-gulonolactone,l-gulonic gamma-lactone,l-+-gulono-1,4-lactone,l +-gulonic acid gamma-lactone,l-+-gulonic acid gamma-lactone |
| IUPAC Name | (3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one |
| InChI Key | SXZYCXMUPBBULW-SKNVOMKLSA-N |
| Molecular Formula | C6H10O6 |
2-Hydroxy-gamma-butyrolactone, 99%
CAS: 19444-84-9 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00134268,MFCD00211245 InChI Key: FWIBCWKHNZBDLS-UHFFFAOYNA-N Synonym: alpha-hydroxy-gamma-butyrolactone,3-hydroxydihydrofuran-2 3h-one,2-hydroxy-gamma-butyrolactone,3-hydroxytetrahydrofuran-2-one,2 3h-furanone, dihydrohydroxy,3s-3-hydroxydihydrofuran-2 3h-one,3-hydroxydihydro-2 3h-furanone,hydroxybutyrolactone,r-dihydro-3-hydroxyfuran-2 3h-one,2 3h-furanone, dihydro-3-hydroxy PubChem CID: 545831 IUPAC Name: 3-hydroxyoxolan-2-one SMILES: OC1CCOC1=O
| PubChem CID | 545831 |
|---|---|
| CAS | 19444-84-9 |
| Molecular Weight (g/mol) | 102.09 |
| MDL Number | MFCD00134268,MFCD00211245 |
| SMILES | OC1CCOC1=O |
| Synonym | alpha-hydroxy-gamma-butyrolactone,3-hydroxydihydrofuran-2 3h-one,2-hydroxy-gamma-butyrolactone,3-hydroxytetrahydrofuran-2-one,2 3h-furanone, dihydrohydroxy,3s-3-hydroxydihydrofuran-2 3h-one,3-hydroxydihydro-2 3h-furanone,hydroxybutyrolactone,r-dihydro-3-hydroxyfuran-2 3h-one,2 3h-furanone, dihydro-3-hydroxy |
| IUPAC Name | 3-hydroxyoxolan-2-one |
| InChI Key | FWIBCWKHNZBDLS-UHFFFAOYNA-N |
| Molecular Formula | C4H6O3 |
2,3-O-Isopropylidene-D-ribonic acid-1,4-lactone, 97+%
CAS: 30725-00-9 Molecular Formula: C8H12O5 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00080793 InChI Key: NHHKFJCWLPPNCN-UHFFFAOYNA-N Synonym: 3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyldihydrofuro 3,4-d 1,3 dioxol-4 3ah-one,2,3-o-isopropylidene-d-ribonic gamma-lactone,2,3-o-isopropylidene-d-ribono-1,4-lactone,2,3-isopropylidene-d-ribonolactone,3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyl-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,d-2,3-isopropylidene lyxono-1,4-lactone,pubchem10728,nhhkfjcwlppncn-hsuxutppsa,2,3-o-isopropylidene-d-ribonic,a-lactone,2,3-o-isopropylidene-d-ribonic-gama-lactone PubChem CID: 1268067 IUPAC Name: 6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-one SMILES: CC1(C)OC2C(CO)OC(=O)C2O1
| PubChem CID | 1268067 |
|---|---|
| CAS | 30725-00-9 |
| Molecular Weight (g/mol) | 188.18 |
| MDL Number | MFCD00080793 |
| SMILES | CC1(C)OC2C(CO)OC(=O)C2O1 |
| Synonym | 3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyldihydrofuro 3,4-d 1,3 dioxol-4 3ah-one,2,3-o-isopropylidene-d-ribonic gamma-lactone,2,3-o-isopropylidene-d-ribono-1,4-lactone,2,3-isopropylidene-d-ribonolactone,3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyl-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,d-2,3-isopropylidene lyxono-1,4-lactone,pubchem10728,nhhkfjcwlppncn-hsuxutppsa,2,3-o-isopropylidene-d-ribonic,a-lactone,2,3-o-isopropylidene-d-ribonic-gama-lactone |
| IUPAC Name | 6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-one |
| InChI Key | NHHKFJCWLPPNCN-UHFFFAOYNA-N |
| Molecular Formula | C8H12O5 |
Gibberellic acid, 90+%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
gamma-Decanolactone, 98%
CAS: 706-14-9 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00005404 InChI Key: IFYYFLINQYPWGJ-UHFFFAOYNA-N Synonym: gamma-decalactone,4-decanolide,gamma-decanolactone,2 3h-furanone, 5-hexyldihydro,5-hexyldihydrofuran-2 3h-one,decan-4-olide,5-hexyldihydro-2 3h-furanone,decanolide-1,4,2-decalactone,4-hexyl-4-butanolide PubChem CID: 12813 IUPAC Name: 5-hexyloxolan-2-one SMILES: CCCCCCC1CCC(=O)O1
| PubChem CID | 12813 |
|---|---|
| CAS | 706-14-9 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00005404 |
| SMILES | CCCCCCC1CCC(=O)O1 |
| Synonym | gamma-decalactone,4-decanolide,gamma-decanolactone,2 3h-furanone, 5-hexyldihydro,5-hexyldihydrofuran-2 3h-one,decan-4-olide,5-hexyldihydro-2 3h-furanone,decanolide-1,4,2-decalactone,4-hexyl-4-butanolide |
| IUPAC Name | 5-hexyloxolan-2-one |
| InChI Key | IFYYFLINQYPWGJ-UHFFFAOYNA-N |
| Molecular Formula | C10H18O2 |
Gibberellic Acid, 90%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |