| SpectraBase Compound ID | C1AqUUFfmbO |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3 |
| InChIKey | IIPHPVVRBVBREZ-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8q3K06wjP6r |
|---|---|
| Name | Cholest-1-en-3-one, (5.alpha.)- |
| CAS Registry Number | 601-55-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3 |
| InChIKey | IIPHPVVRBVBREZ-UHFFFAOYSA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | C1=CC2(C(CC1=O)CCC1C2CCC2(C1CCC2C(C)CCCC(C)C)C)C |
| SPLASH | splash10-05fu-6922000000-047c178d2ec93c9435d6 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 1-Coprosten-3-one Cholest-1-en-3-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 5.alpha.-Cholest-1-en-3-one |
| Wiley ID | 1361924 |