| SpectraBase Compound ID | CblVvZxsmzJ |
|---|---|
| InChI | InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3/t20?,23-,24?,25+,26?,27?,28+,29+,30+,31-/m0/s1 |
| InChIKey | FSOSLUNLZBKXMA-KUTOGTJUSA-N |
| Mol Weight | 504.8 g/mol |
| Molecular Formula | C31H52O5 |
| Exact Mass | 504.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KZudHn2N1S8 |
|---|---|
| Name | 5.alpha.-Hydroxy-cholesta-3.beta.,6.beta. - diacetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O5 |
| InChI | InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3/t20?,23-,24?,25+,26?,27?,28+,29+,30+,31-/m0/s1 |
| InChIKey | FSOSLUNLZBKXMA-KUTOGTJUSA-N |
| Molecular Weight | 504.752 g/mol |
| SMILES | O[C@@]12[C@@](C3CC[C@]4(C(C3C[C@]2(OC(=O)C)[H])CC[C@@]4(C(CCCC(C)C)C)[H])C)(CC[C@@](C1)(OC(=O)C)[H])C |
| SPLASH | splash10-01c0-0239200000-eb911567f35e6c752328 |
| Source of Spectrum | X2-53-1348-2 |
| Synonyms | Acetic acid [(3S,5R,6R,10R,13R,17R)-6-acetyloxy-5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,5R,6R,10R,13R,17R)-6-acetyloxy-5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,6R,10R,13R,17R)-6-acetoxy-17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,6R,10R,13R,17R)-6-acetyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1603738 |