For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Androstane-17-carboxylic acid, 17-(methylthio)-3-oxo-, methyl ester, (5.beta.,17.alpha.)-
SpectraBase Compound ID BnMuvjlc5as
InChI InChI=1S/C22H34O3S/c1-20-10-7-15(23)13-14(20)5-6-16-17(20)8-11-21(2)18(16)9-12-22(21,26-4)19(24)25-3/h14,16-18H,5-13H2,1-4H3/t14-,16-,17+,18+,20+,21+,22+/m1/s1
InChIKey JSERQUVYLAPOEJ-FUHIEHHUSA-N
Mol Weight 378.6 g/mol
Molecular Formula C22H34O3S
Exact Mass 378.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6REzLgof9Uh
Name Androstane-17-carboxylic acid, 17-(methylthio)-3-oxo-, methyl ester, (5.beta.,17.alpha.)-
CAS Registry Number 60774-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3S
InChI InChI=1S/C22H34O3S/c1-20-10-7-15(23)13-14(20)5-6-16-17(20)8-11-21(2)18(16)9-12-22(21,26-4)19(24)25-3/h14,16-18H,5-13H2,1-4H3/t14-,16-,17+,18+,20+,21+,22+/m1/s1
InChIKey JSERQUVYLAPOEJ-FUHIEHHUSA-N
Molecular Weight 378.571 g/mol
SMILES [C@@]12([C@@](C(=O)OC)(CC[C@]2([C@@]2(CC[C@]3([C@@]([C@]2(CC1)[H])(CCC(=O)C3)C)[H])[H])[H])SC)C
SPLASH splash10-000t-0649000000-8d0f51fe285d39c36b43
Source of Spectrum C-98-4899-0
Synonyms 17.beta.-carbomethoxy-17.alpha.-(methylthio)-5.beta.-androstan-3-one Methyl (5beta,17alpha)-17-(methylsulfanyl)-3-oxoandrostane-17-carboxylate
Wiley ID 1358866