| SpectraBase Compound ID | Fc5QN0RgTUf |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h6-7,18-23,29H,8-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | YJENMWJFLIYQSC-RJGGPJCOSA-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 | 5ChegiPqXch |
|---|---|
| Name | 5-.alpha.-Hydroxycholest-2-en-6-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h6-7,18-23,29H,8-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | YJENMWJFLIYQSC-RJGGPJCOSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | O[C@@]12CC=CC[C@@]2([C@@]2([C@@](CC1=O)([C@@]1(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]1(C)CC2)[H])[H])[H])[H])C |
| SPLASH | splash10-0udi-0002900000-952e4f4a25338436e200 |
| Source of Spectrum | F2-44-2616-16 |
| Synonyms | (5alpha)-5-hydroxycholest-2-en-6-one (5R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-5-oxidanyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Wiley ID | 1639294 |