| SpectraBase Compound ID | 5cmHiWdPc6j |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18-,20-,21+,22+,23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | FGKQZAUZOBFLBY-GGBHDQTRSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4JH9wNVgPil |
|---|---|
| Name | 5.alpha.-7,24-Dihydroxycholestane-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18-,20-,21+,22+,23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | FGKQZAUZOBFLBY-GGBHDQTRSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | O[C@]1([C@]2([C@]3([C@@]([C@@]([C@@](CC[C@](C(C)C)(O)[H])(C)[H])(CC3)[H])(CC[C@@]2([C@@]2([C@@](C1)(CC(CC2)=O)[H])C)[H])C)[H])[H])[H] |
| SPLASH | splash10-0f89-0007900000-fe9b65eb3239e9036586 |
| Source of Spectrum | AT-42-2539-1 |
| Synonyms | (5alpha)-7,24-dihydroxycholestan-3-one (5S,7R,8R,9S,10S,13R,14S,17R)-7-Hydroxy-17-((R)-4-hydroxy-5-(R)-methyl-1-methyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one (5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-17-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-6-methyl-5-oxidanyl-heptan-2-yl]-7-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 855066 |