| SpectraBase Compound ID | IEJRjzvriDG |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,28H,6-14,16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27-/m1/s1 |
| InChIKey | NCHPULCZWCKWHV-OLSNINGUSA-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 | 170HbdzJqMM |
|---|---|
| Name | 3.beta.-Hydroxycholest-4-en-6-one |
| CAS Registry Number | 570-91-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,28H,6-14,16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27-/m1/s1 |
| InChIKey | NCHPULCZWCKWHV-OLSNINGUSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C(=O)C[C@@]3([C@@]2(CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]32[H])[H])C)[H])[H])=C1)C)[H] |
| SPLASH | splash10-0udi-0114900000-ded67681292a9ffa323c |
| Source of Spectrum | J-56-1937-4 |
| Synonyms | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| Wiley ID | 1369739 |