| SpectraBase Compound ID | 3gR5eM3T3Xr |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23-,25-,26+,27-/m1/s1 |
| InChIKey | BHOGPBCKBGSAIM-AJEZMGFHSA-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 | IhYCdicMKvu |
|---|---|
| Name | Cholestan-15-one, 3-hydroxy-, (3.beta.,5.alpha.)- |
| Alternate Name(s) | (3beta)-3-hydroxycholestan-15-one 3.beta.-hydroxycholestan-15-one (3S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one (3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one |
| CAS Registry Number | 55823-04-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23-,25-,26+,27-/m1/s1 |
| InChIKey | BHOGPBCKBGSAIM-AJEZMGFHSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(C(=O)C[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0536-9642000000-136eec15d7e3fb5409b3 |
| Source of Spectrum | C-84-1435-15 |
| Wiley ID | 1370657 |