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(8R,9R,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid (3-methy
SpectraBase Compound ID GF11uI3CgyX
InChI InChI=1S/C24H37NO2S/c1-23-13-5-4-6-16(23)7-8-17-18-9-10-20(24(18,2)14-11-19(17)23)22(27)25-21(26)12-15-28-3/h10,16-19H,4-9,11-15H2,1-3H3,(H,25,26,27)/t16?,17-,18-,19+,23-,24-/m0/s1
InChIKey ZSTYEHLMEHPZEP-KOFNTJSSSA-N
Mol Weight 403.6 g/mol
Molecular Formula C24H37NO2S
Exact Mass 403.254501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AI9Pv3ESJlU
Name (8R,9R,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid (3-methy
Alternate Name(s) 17-(N-(3-Methylthiopropionyl)-carbamoyl)-androst-16-ene lsulfanyl-propionyl)-amide
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Formula C24H37NO2S
InChI InChI=1S/C24H37NO2S/c1-23-13-5-4-6-16(23)7-8-17-18-9-10-20(24(18,2)14-11-19(17)23)22(27)25-21(26)12-15-28-3/h10,16-19H,4-9,11-15H2,1-3H3,(H,25,26,27)/t16?,17-,18-,19+,23-,24-/m0/s1
InChIKey ZSTYEHLMEHPZEP-KOFNTJSSSA-N
Molecular Weight 403.625 g/mol
SMILES N(C(C=1[C@@]2([C@]([C@@]3(CCC4[C@]([C@@]3(CC2)[H])(C)CCCC4)[H])(CC1)[H])C)=O)C(CCSC)=O
SPLASH splash10-000i-0090000000-cca7da64d8556b51cf92
Source of Spectrum F-65-4662-4d
Wiley ID 1680722