| SpectraBase Compound ID | L2hOMq8X8rA |
|---|---|
| InChI | InChI=1S/C35H52O/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-28-22-26(23-33(36)27-12-7-6-8-13-27)18-20-34(28,4)32(29)19-21-35(30,31)5/h6-8,12-13,22,24-26,29-32H,9-11,14-21,23H2,1-5H3/t25-,26-,29+,30-,31+,32+,34+,35-/m1/s1 |
| InChIKey | BQVLOCITZRNBIX-OSBCVHGZSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C35H52O |
| Exact Mass | 488.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CmK9Hfh2taF |
|---|---|
| Name | 3.alpha.-(Benzoylmethyl)-4-cholestene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H52O |
| InChI | InChI=1S/C35H52O/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-28-22-26(23-33(36)27-12-7-6-8-13-27)18-20-34(28,4)32(29)19-21-35(30,31)5/h6-8,12-13,22,24-26,29-32H,9-11,14-21,23H2,1-5H3/t25-,26-,29+,30-,31+,32+,34+,35-/m1/s1 |
| InChIKey | BQVLOCITZRNBIX-OSBCVHGZSA-N |
| Molecular Weight | 488.800 g/mol |
| SMILES | [C@@]1(CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(CC(c1ccccc1)=O)[H] |
| SPLASH | splash10-0a4i-0900200000-93fe73f16e08d2189085 |
| Source of Spectrum | J-64-2750-91 |
| Synonyms | 2-[(3alpha)-cholest-4-en-3-yl]-1-phenylethanone 2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-phenylethanone 2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-phenyl-ethanone |
| Wiley ID | 1529950 |