| SpectraBase Compound ID | FSL238zc4SE |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | CXUORUGFOXGJNY-LUZKGJLSSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2NowDmhbmmK |
|---|---|
| Name | (25R)-26-hydroxycholest-4-en-3-one |
| CAS Registry Number | 56792-59-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | CXUORUGFOXGJNY-LUZKGJLSSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | OC[C@@](CCC[C@]([C@@]1([C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC1)[H])C)[H])(C)[H])(C)[H] |
| SPLASH | splash10-0fmi-0962800000-2f7b4df043301bd3e509 |
| Source of Spectrum | K-112-2690-0 |
| Synonyms | (8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1369706 |