| SpectraBase Compound ID | BK7nErN3uzR |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-18,21-24H,6-15H2,1-5H3 |
| InChIKey | HARGXKQYICYDPO-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | tny3l4wtRZ |
|---|---|
| Name | Cholest-7-ene-3,6-dione, (5.alpha.)- |
| CAS Registry Number | 2550-89-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-18,21-24H,6-15H2,1-5H3 |
| InChIKey | HARGXKQYICYDPO-UHFFFAOYSA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)=CC(C2CC(CC1)=O)=O |
| SPLASH | splash10-0005-9552000000-470f2b9bffd156b3185a |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Cholest-7-ene-3,6-dione 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone 5.alpha.-Cholest-7-ene-3,6-dione |
| Wiley ID | 1368690 |