| SpectraBase Compound ID | Fbbf3n1hAPk |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h13,19-20,22-25,27H,7-12,14-18H2,1-6H3 |
| InChIKey | AUNGBPWQFCPOKI-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D2CTVQztIZY |
|---|---|
| Name | Cholest-14-en-3-ol, acetate, (3.beta.)- |
| CAS Registry Number | 58072-58-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h13,19-20,22-25,27H,7-12,14-18H2,1-6H3 |
| InChIKey | AUNGBPWQFCPOKI-UHFFFAOYSA-N |
| Molecular Weight | 428.701 g/mol |
| SMILES | CC12C3C(C=4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC(CC1)OC(C)=O |
| SPLASH | splash10-0bt9-8923200000-ba4735ebabbdc2504510 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Cholest-14-en-3-ol, acetate, (3.beta.,17.alpha.)- Cholest-14-en-3-yl acetate 3.beta.-Acetoxycholest-14-ene Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1380931 |