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3.alpha.-(Phenylthio)androstan-17-one
SpectraBase Compound ID JxEdzOtxSb0
InChI InChI=1S/C25H34OS/c1-24-14-12-19(27-18-6-4-3-5-7-18)16-17(24)8-9-20-21-10-11-23(26)25(21,2)15-13-22(20)24/h3-7,17,19-22H,8-16H2,1-2H3/t17?,19-,20+,21+,22+,24+,25+/m1/s1
InChIKey BVXAAARNXOBCLZ-FJGAPTTASA-N
Mol Weight 382.6 g/mol
Molecular Formula C25H34OS
Exact Mass 382.233037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Vi4ZgZAdbw
Name 3.alpha.-(Phenylthio)androstan-17-one
Alternate Name(s) (3alpha)-3-(phenylsulfanyl)androstan-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34OS
InChI InChI=1S/C25H34OS/c1-24-14-12-19(27-18-6-4-3-5-7-18)16-17(24)8-9-20-21-10-11-23(26)25(21,2)15-13-22(20)24/h3-7,17,19-22H,8-16H2,1-2H3/t17?,19-,20+,21+,22+,24+,25+/m1/s1
InChIKey BVXAAARNXOBCLZ-FJGAPTTASA-N
Molecular Weight 382.606 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CCC2C[C@](Sc2ccccc2)(CC1)[H])[H])C
SPLASH splash10-001i-0349000000-8223846d82b945888328
Source of Spectrum J-58-2412-24
Wiley ID 1360805