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Cholest-1-en-3-one, 2-(4-methoxyphenyl)-, (5.alpha.)-
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)

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