| SpectraBase Compound ID | G9sJcM3Y4Yo |
|---|---|
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,17,23-24,26-27,29H,9-11,14-16,18-22H2,1-5H3/t24-,26-,27+,29-,33+,34-/m1/s1 |
| InChIKey | QIBPWHCNUAMCBM-JPMCUNPWSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C34H48O2 |
| Exact Mass | 488.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J0xF4fbVVhX |
|---|---|
| Name | 3.beta.-(benzoyloxy)-5.beta.-cholesta-8,14-diene |
| Alternate Name(s) | (3beta,5beta)-cholesta-8,14-dien-3-yl benzoate benzoic acid[(3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester benzoic acid[(3S,5R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]benzoate [(3S,5R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]benzoate benzoic acid [(3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [(3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate |
| CAS Registry Number | 113349-58-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48O2 |
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,17,23-24,26-27,29H,9-11,14-16,18-22H2,1-5H3/t24-,26-,27+,29-,33+,34-/m1/s1 |
| InChIKey | QIBPWHCNUAMCBM-JPMCUNPWSA-N |
| Molecular Weight | 488.756 g/mol |
| SMILES | C1=2C3=C([C@]4(CC[C@](OC(=O)c5ccccc5)(C[C@]4(CC3)[H])[H])C)CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C |
| SPLASH | splash10-0a4i-0931000000-cc1f85b046aee606a8c5 |
| Source of Spectrum | J-53-1719-5 |
| Wiley ID | 1397016 |