| SpectraBase Compound ID | JJx9qAmT1YY |
|---|---|
| InChI | InChI=1S/C31H52O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h19-20,23-29H,8-18H2,1-7H3 |
| InChIKey | CCNIYQVWQJGGBH-UHFFFAOYSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C31H52O4 |
| Exact Mass | 488.38656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7FX183xp3zx |
|---|---|
| Name | Cholestane-3,6-diol, diacetate, (3.beta.,5.alpha.,6.alpha.)- |
| Alternate Name(s) | 3-(Acetyloxy)cholestan-6-yl acetate 5.alpha.-Cholestane-3.beta.,6.alpha.-diol, diacetate Acetic acid [6-acetyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [6-acetyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [6-acetoxy-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [6-acetyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| CAS Registry Number | 3514-28-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O4 |
| InChI | InChI=1S/C31H52O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h19-20,23-29H,8-18H2,1-7H3 |
| InChIKey | CCNIYQVWQJGGBH-UHFFFAOYSA-N |
| Molecular Weight | 488.753 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2CC(C2C1(CCC(C2)OC(=O)C)C)OC(=O)C)C |
| SPLASH | splash10-015c-9834100000-3c02db6c3e03fba01545 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1396976 |