| SpectraBase Compound ID | B8XxbLlFlcj |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-19,21-24,29H,6-17H2,1-5H3/t19?,21?,22?,23?,24?,25?,26-,27-/m1/s1 |
| InChIKey | OPSNLRNZVIABPI-CEYKOOHJSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1JcK2ycJOoT |
|---|---|
| Name | Cholestan-3-one, 5-hydroxy-, (5.alpha.)- |
| CAS Registry Number | 2515-01-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-19,21-24,29H,6-17H2,1-5H3/t19?,21?,22?,23?,24?,25?,26-,27-/m1/s1 |
| InChIKey | OPSNLRNZVIABPI-CEYKOOHJSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | O[C@@]12[C@@](C3CCC4(C(C3CC2)CCC4C(CCCC(C)C)C)C)(CCC(=O)C1)C |
| SPLASH | splash10-008c-8934000000-cc6b12fb1e46f0b1f6a7 |
| Source of Spectrum | O-6-562-2 |
| Synonyms | 10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 5-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 5.alpha.-Cholestan-3-one, 5-hydroxy- 5.alpha.-Hydroxycholestan-3-one |
| Wiley ID | 57382 |