Prenol lipids
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4-Bromobutylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester, 95%, Thermo Scientific Chemicals
CAS: 165881-36-7 Molecular Formula: C14H24BBrO2 Molecular Weight (g/mol): 315.058 MDL Number: MFCD09037500 InChI Key: DQGAIMVYOVPBSD-FMSGJZPZSA-N Synonym: 4-bromobutylboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,4-bromobutylboronate ester,4-bromobutaneboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,1s,2s,3r,5s-+-2,3-pinanediol 4-bromobutylboronate ester,1s,2s,6r,8s-4-4-bromobutyl-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.02,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0?,? decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0^ 2,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0_,? decane,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborole,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo d 1,3,2 dioxaborole PubChem CID: 44784918 SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCCBr
| PubChem CID | 44784918 |
|---|---|
| CAS | 165881-36-7 |
| Molecular Weight (g/mol) | 315.058 |
| MDL Number | MFCD09037500 |
| SMILES | B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCCBr |
| Synonym | 4-bromobutylboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,4-bromobutylboronate ester,4-bromobutaneboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,1s,2s,3r,5s-+-2,3-pinanediol 4-bromobutylboronate ester,1s,2s,6r,8s-4-4-bromobutyl-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.02,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0?,? decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0^ 2,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0_,? decane,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborole,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo d 1,3,2 dioxaborole |
| InChI Key | DQGAIMVYOVPBSD-FMSGJZPZSA-N |
| Molecular Formula | C14H24BBrO2 |
alpha-Terpinene, 90%, tech.
CAS: 99-86-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001534 InChI Key: YHQGMYUVUMAZJR-UHFFFAOYSA-N Synonym: alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene PubChem CID: 7462 ChEBI: CHEBI:10334 IUPAC Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene SMILES: CC(C)C1=CC=C(C)CC1
| PubChem CID | 7462 |
|---|---|
| CAS | 99-86-5 |
| Molecular Weight (g/mol) | 136.24 |
| ChEBI | CHEBI:10334 |
| MDL Number | MFCD00001534 |
| SMILES | CC(C)C1=CC=C(C)CC1 |
| Synonym | alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene |
| IUPAC Name | 1-methyl-4-propan-2-ylcyclohexa-1,3-diene |
| InChI Key | YHQGMYUVUMAZJR-UHFFFAOYSA-N |
| Molecular Formula | C10H16 |
DL-alpha Tocopherol acetate, 96.8%, MP Biomedicals™
CAS: 7695-91-2 Molecular Formula: C31H52O3 Molecular Weight (g/mol): 472.754 InChI Key: ZAKOWWREFLAJOT-CEFNRUSXSA-N Synonym: vitamin e acetate,tocopherol acetate,alpha-tocopherol acetate,alfacol,ecofrol,d-alpha-tocopherol acetate,contopheron,tofaxin,ephynal acetate,econ PubChem CID: 86472 ChEBI: CHEBI:32321 IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate SMILES: CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
| PubChem CID | 86472 |
|---|---|
| CAS | 7695-91-2 |
| Molecular Weight (g/mol) | 472.754 |
| ChEBI | CHEBI:32321 |
| SMILES | CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C |
| Synonym | vitamin e acetate,tocopherol acetate,alpha-tocopherol acetate,alfacol,ecofrol,d-alpha-tocopherol acetate,contopheron,tofaxin,ephynal acetate,econ |
| IUPAC Name | [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate |
| InChI Key | ZAKOWWREFLAJOT-CEFNRUSXSA-N |
| Molecular Formula | C31H52O3 |
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride, 97%, Thermo Scientific™
CAS: 32768-19-7 Molecular Formula: C10H20ClN Molecular Weight (g/mol): 189.727 MDL Number: MFCD00180693 InChI Key: XVVITZVHMWAHIG-VMKQZJJLSA-N Synonym: 1,7,7-trimethylbicyclo 2.2.1 heptan-2-amine hydrochloride,bornylamine, hydrochloride,bornylamine hydrochloride,1,7,7-trimethylnorbornan-2-amine,1,7,7-trimethylbicyclo 2.2.1 hept-2-ylamine, chloride,4,7,7-trimethylbicyclo 2.2.1 heptan-3-amine hydrochloride PubChem CID: 55283045 IUPAC Name: (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine;hydrochloride SMILES: CC1(C2CCC1(C(C2)N)C)C.Cl
| PubChem CID | 55283045 |
|---|---|
| CAS | 32768-19-7 |
| Molecular Weight (g/mol) | 189.727 |
| MDL Number | MFCD00180693 |
| SMILES | CC1(C2CCC1(C(C2)N)C)C.Cl |
| Synonym | 1,7,7-trimethylbicyclo 2.2.1 heptan-2-amine hydrochloride,bornylamine, hydrochloride,bornylamine hydrochloride,1,7,7-trimethylnorbornan-2-amine,1,7,7-trimethylbicyclo 2.2.1 hept-2-ylamine, chloride,4,7,7-trimethylbicyclo 2.2.1 heptan-3-amine hydrochloride |
| IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine;hydrochloride |
| InChI Key | XVVITZVHMWAHIG-VMKQZJJLSA-N |
| Molecular Formula | C10H20ClN |
Bis(pentamethylcyclopentadienyl)nickel
CAS: 74507-63-4 Molecular Formula: C20H30Ni Molecular Weight (g/mol): 329.153 MDL Number: MFCD00058704 InChI Key: CHPLEWYRKUFKQP-UHFFFAOYSA-N Synonym: Decamethylnickelocene PubChem CID: 24943158 IUPAC Name: nickel(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene SMILES: CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ni+2]
| PubChem CID | 24943158 |
|---|---|
| CAS | 74507-63-4 |
| Molecular Weight (g/mol) | 329.153 |
| MDL Number | MFCD00058704 |
| SMILES | CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ni+2] |
| Synonym | Decamethylnickelocene |
| IUPAC Name | nickel(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene |
| InChI Key | CHPLEWYRKUFKQP-UHFFFAOYSA-N |
| Molecular Formula | C20H30Ni |
Di-μ-chlorobis(p-cymene)chlororuthenium(II), 98%
CAS: 52462-29-0 Molecular Formula: C20H28Cl4Ru2 Molecular Weight (g/mol): 612.39 MDL Number: MFCD00064793 InChI Key: LAXRNWSASWOFOT-UHFFFAOYSA-J Synonym: dichloro p-cymene ruthenium ii dimer,di-mu-chloro-bis chloro p-cymene ruthenium ii,rucl2 p-cymene 2,ru p-cymene cl2 2,dichloro p-cymene ruthenium dimer,p-cymene ruthenium ii chloride dimer,dichloro-p-cymene ruthenium ii dimer PubChem CID: 10908223 IUPAC Name: dichlororuthenium;1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
| PubChem CID | 10908223 |
|---|---|
| CAS | 52462-29-0 |
| Molecular Weight (g/mol) | 612.39 |
| MDL Number | MFCD00064793 |
| SMILES | CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl |
| Synonym | dichloro p-cymene ruthenium ii dimer,di-mu-chloro-bis chloro p-cymene ruthenium ii,rucl2 p-cymene 2,ru p-cymene cl2 2,dichloro p-cymene ruthenium dimer,p-cymene ruthenium ii chloride dimer,dichloro-p-cymene ruthenium ii dimer |
| IUPAC Name | dichlororuthenium;1-methyl-4-propan-2-ylbenzene |
| InChI Key | LAXRNWSASWOFOT-UHFFFAOYSA-J |
| Molecular Formula | C20H28Cl4Ru2 |
Menthol, Crystal, FCC, Spectrum™ Chemical
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CAS: 2216-51-5 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N IUPAC Name: (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
| CAS | 2216-51-5 |
|---|---|
| Molecular Weight (g/mol) | 156.27 |
| SMILES | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O |
| IUPAC Name | (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol |
| InChI Key | NOOLISFMXDJSKH-KXUCPTDWSA-N |
| Molecular Formula | C10H20O |
(+)-Diisopinocampheylchloroborane, 1.8M solution in hexanes, AcroSeal™, Thermo Scientific Chemicals
CAS: 112246-73-8 Molecular Formula: C20H34BCl Molecular Weight (g/mol): 320.75 MDL Number: MFCD00074808 InChI Key: PSEHHVRCDVOTID-NAVXHOJHSA-N Synonym: +-b-chlorodiisopinocamphenylborane PubChem CID: 133124869 IUPAC Name: chloro-bis[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane SMILES: C[C@H]1[C@@H]2C[C@H](C[C@@H]1B(Cl)[C@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C
| PubChem CID | 133124869 |
|---|---|
| CAS | 112246-73-8 |
| Molecular Weight (g/mol) | 320.75 |
| MDL Number | MFCD00074808 |
| SMILES | C[C@H]1[C@@H]2C[C@H](C[C@@H]1B(Cl)[C@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C |
| Synonym | +-b-chlorodiisopinocamphenylborane |
| IUPAC Name | chloro-bis[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane |
| InChI Key | PSEHHVRCDVOTID-NAVXHOJHSA-N |
| Molecular Formula | C20H34BCl |
2,6-Di-tert-butyl-p-benzoquinone, 98+%
CAS: 719-22-2 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD00001601 InChI Key: RDQSIADLBQFVMY-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-p-benzoquinone,2,6-di-tert-butyl-1,4-benzoquinone,2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione,2,6-di-tert-butylbenzoquinone,2,6-di-tert-butylquinone,2,6-di-t-butyl-p-benzoquinone,2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl,p-benzoquinone, 2,6-di-tert-butyl,unii-4c9d8l0y0t,2,6-di tert-butyl benzo-1,4-quinone PubChem CID: 12867 IUPAC Name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione SMILES: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
| PubChem CID | 12867 |
|---|---|
| CAS | 719-22-2 |
| Molecular Weight (g/mol) | 220.312 |
| MDL Number | MFCD00001601 |
| SMILES | CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-p-benzoquinone,2,6-di-tert-butyl-1,4-benzoquinone,2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione,2,6-di-tert-butylbenzoquinone,2,6-di-tert-butylquinone,2,6-di-t-butyl-p-benzoquinone,2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl,p-benzoquinone, 2,6-di-tert-butyl,unii-4c9d8l0y0t,2,6-di tert-butyl benzo-1,4-quinone |
| IUPAC Name | 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione |
| InChI Key | RDQSIADLBQFVMY-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
trans-(+)-Chrysanthemic acid, 99+%
CAS: 4638-92-0 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.23 MDL Number: MFCD01941572 InChI Key: XLOPRKKSAJMMEW-JGVFFNPUSA-N Synonym: --trans-chrysanthemic acid,1s,3s-2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylic acid,chrysanthemic acid l-trans,l-trans-chrysanthemic acid,1s-trans-2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylic acid,1s-trans-2,2-dimethyl-3-2-methylprop-1-enyl cyclopropanecarboxylic acid,--trans-chrysanthemumsaeure,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methylpropenyl-, 1s-trans,4-09-00-00169 beilstein handbook reference,chrysanthemic acid dl-trans-form PubChem CID: 33607 ChEBI: CHEBI:39102 IUPAC Name: (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid SMILES: CC(=CC1C(C1(C)C)C(=O)O)C
| PubChem CID | 33607 |
|---|---|
| CAS | 4638-92-0 |
| Molecular Weight (g/mol) | 168.23 |
| ChEBI | CHEBI:39102 |
| MDL Number | MFCD01941572 |
| SMILES | CC(=CC1C(C1(C)C)C(=O)O)C |
| Synonym | --trans-chrysanthemic acid,1s,3s-2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylic acid,chrysanthemic acid l-trans,l-trans-chrysanthemic acid,1s-trans-2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylic acid,1s-trans-2,2-dimethyl-3-2-methylprop-1-enyl cyclopropanecarboxylic acid,--trans-chrysanthemumsaeure,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methylpropenyl-, 1s-trans,4-09-00-00169 beilstein handbook reference,chrysanthemic acid dl-trans-form |
| IUPAC Name | (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid |
| InChI Key | XLOPRKKSAJMMEW-JGVFFNPUSA-N |
| Molecular Formula | C10H16O2 |
alpha-Terpineol, 96%
CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O
| PubChem CID | 17100 |
|---|---|
| CAS | 98-55-5 |
| Molecular Weight (g/mol) | 154.253 |
| ChEBI | CHEBI:22469 |
| MDL Number | MFCD00001557 |
| SMILES | CC1=CCC(CC1)C(C)(C)O |
| Synonym | alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| InChI Key | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, 97%
CAS: 138124-32-0 MDL Number: MFCD02101664 InChI Key: YRVXCOIDMFNGIJ-SEILFYAJSA-M Synonym: 1r,2r---1,2-cyclohexanediamino-n,n'-bis 3,5-di-t-butylsalicylidene manganese iii chloride r,r-jacobsen cat. PubChem CID: 131675872 IUPAC Name: 2,4-ditert-butyl-6-[[[(1R,2R)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;chloride SMILES: CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Cl-].[Mn]
| PubChem CID | 131675872 |
|---|---|
| CAS | 138124-32-0 |
| MDL Number | MFCD02101664 |
| SMILES | CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Cl-].[Mn] |
| Synonym | 1r,2r---1,2-cyclohexanediamino-n,n'-bis 3,5-di-t-butylsalicylidene manganese iii chloride r,r-jacobsen cat. |
| IUPAC Name | 2,4-ditert-butyl-6-[[[(1R,2R)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;chloride |
| InChI Key | YRVXCOIDMFNGIJ-SEILFYAJSA-M |
2-(4-Isobutylphenyl)propanenitrile, 97%, Thermo Scientific™
CAS: 58609-73-7 Molecular Formula: C13H17N Molecular Weight (g/mol): 187.286 MDL Number: MFCD02180706 InChI Key: PKQKHWNHCKNYSW-UHFFFAOYSA-N Synonym: 2-4-isobutylphenyl propanenitrile,2-4-isobutylphenyl propionitrile,2-4-2-methylpropyl phenyl propanenitrile,2-4-isobutylphenyl propiononitrile,2-p-isobutylphenyl propiononitrile,+--2-4'-isobutylphenyl propionitrile,+/--2-4'-isobutylphenyl propionitrile,ibuprofen nitrile,aronis24266,2-4-isobutylphenyl-propionitrile PubChem CID: 108374 ChEBI: CHEBI:27415 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanenitrile SMILES: CC(C)CC1=CC=C(C=C1)C(C)C#N
| PubChem CID | 108374 |
|---|---|
| CAS | 58609-73-7 |
| Molecular Weight (g/mol) | 187.286 |
| ChEBI | CHEBI:27415 |
| MDL Number | MFCD02180706 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C#N |
| Synonym | 2-4-isobutylphenyl propanenitrile,2-4-isobutylphenyl propionitrile,2-4-2-methylpropyl phenyl propanenitrile,2-4-isobutylphenyl propiononitrile,2-p-isobutylphenyl propiononitrile,+--2-4'-isobutylphenyl propionitrile,+/--2-4'-isobutylphenyl propionitrile,ibuprofen nitrile,aronis24266,2-4-isobutylphenyl-propionitrile |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanenitrile |
| InChI Key | PKQKHWNHCKNYSW-UHFFFAOYSA-N |
| Molecular Formula | C13H17N |
Thermo Scientific Chemicals Docetaxel, 98%
CAS: 114977-28-5 Molecular Formula: C43H53NO14 Molecular Weight (g/mol): 807.88 InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Synonym: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
| PubChem CID | 148124 |
|---|---|
| CAS | 114977-28-5 |
| Molecular Weight (g/mol) | 807.88 |
| ChEBI | CHEBI:4672 |
| SMILES | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O |
| Synonym | docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl |
| InChI Key | ZDZOTLJHXYCWBA-VCVYQWHSSA-N |
| Molecular Formula | C43H53NO14 |