| SpectraBase Compound ID | 8aCUUdrKCjg |
|---|---|
| InChI | InChI=1S/C34H50O2/c1-22(2)8-7-9-23(3)29-16-17-30-27-15-12-25-20-32(35)28(24-10-13-26(36-6)14-11-24)21-34(25,5)31(27)18-19-33(29,30)4/h10-11,13-14,21-23,25,27,29-31H,7-9,12,15-20H2,1-6H3/t23-,25+,27?,29-,30?,31?,33-,34+/m1/s1 |
| InChIKey | IRPLGSQYFFBUNH-NLMSEVFLSA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C34H50O2 |
| Exact Mass | 490.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HmNybYAE0R4 |
|---|---|
| Name | Cholest-1-en-3-one, 2-(4-methoxyphenyl)-, (5.alpha.)- |
| CAS Registry Number | 87240-68-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O2 |
| InChI | InChI=1S/C34H50O2/c1-22(2)8-7-9-23(3)29-16-17-30-27-15-12-25-20-32(35)28(24-10-13-26(36-6)14-11-24)21-34(25,5)31(27)18-19-33(29,30)4/h10-11,13-14,21-23,25,27,29-31H,7-9,12,15-20H2,1-6H3/t23-,25+,27?,29-,30?,31?,33-,34+/m1/s1 |
| InChIKey | IRPLGSQYFFBUNH-NLMSEVFLSA-N |
| Molecular Weight | 490.772 g/mol |
| SMILES | [C@@]12(C=C(c3ccc(cc3)OC)C(C[C@@]1(CCC1C3CC[C@@]([C@]3(CCC21)C)([C@@](CCCC(C)C)(C)[H])[H])[H])=O)C |
| SPLASH | splash10-0007-4910700000-99b1687a492397f6950b |
| Source of Spectrum | B-36-794-0 |
| Synonyms | (5alpha)-2-(4-methoxyphenyl)cholest-1-en-3-one 2-(p-methoxyphenyl)-5.alpha.-chloest-1-en-3-one |
| Wiley ID | 1397359 |