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Androst-5-en-17-one, 3-hydroxy-16-(phenylthio)-, (3.beta.)-
SpectraBase Compound ID 2u4g5hFZ4jV
InChI InChI=1S/C25H32O2S/c1-24-12-10-17(26)14-16(24)8-9-19-20(24)11-13-25(2)21(19)15-22(23(25)27)28-18-6-4-3-5-7-18/h3-8,17,19-22,26H,9-15H2,1-2H3/t17?,19-,20+,21+,22?,24+,25+/m1/s1
InChIKey PXVYWIGHIBERIO-JKEHUWDNSA-N
Mol Weight 396.6 g/mol
Molecular Formula C25H32O2S
Exact Mass 396.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClSQAbCyGvx
Name Androst-5-en-17-one, 3-hydroxy-16-(phenylthio)-, (3.beta.)-
Alternate Name(s) 3-Hydroxy-16-phenylthio-5-androsten-17-one 3-Hydroxy-16-(phenylsulfanyl)androst-5-en-17-one
CAS Registry Number 63608-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O2S
InChI InChI=1S/C25H32O2S/c1-24-12-10-17(26)14-16(24)8-9-19-20(24)11-13-25(2)21(19)15-22(23(25)27)28-18-6-4-3-5-7-18/h3-8,17,19-22,26H,9-15H2,1-2H3/t17?,19-,20+,21+,22?,24+,25+/m1/s1
InChIKey PXVYWIGHIBERIO-JKEHUWDNSA-N
Molecular Weight 396.589 g/mol
SMILES OC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC(C4=O)Sc1ccccc1)[H])C)[H])C
SPLASH splash10-000j-1904000000-2cdcc83adfe36d696dba
Source of Spectrum W5-33392-32144-32144
Wiley ID 1367647