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(3R,5R)-10,13-Dimethyl-17-(1-methyl-4-methylsulfanyl-butyl)-hexadecahydro-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 94CxdWfODwF
InChI InChI=1S/C25H44OS/c1-17(6-5-15-27-4)21-9-10-22-20-8-7-18-16-19(26)11-13-24(18,2)23(20)12-14-25(21,22)3/h17-23,26H,5-16H2,1-4H3/t17?,18-,19-,20?,21?,22?,23?,24?,25?/m1/s1
InChIKey AEPRZIHZXHWUCN-PCINZECTSA-N
Mol Weight 392.7 g/mol
Molecular Formula C25H44OS
Exact Mass 392.311287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kwZyVJkhOE
Name (3R,5R)-10,13-Dimethyl-17-(1-methyl-4-methylsulfanyl-butyl)-hexadecahydro-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) 24-(Methylthio)-5.beta.-cholan-3.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44OS
InChI InChI=1S/C25H44OS/c1-17(6-5-15-27-4)21-9-10-22-20-8-7-18-16-19(26)11-13-24(18,2)23(20)12-14-25(21,22)3/h17-23,26H,5-16H2,1-4H3/t17?,18-,19-,20?,21?,22?,23?,24?,25?/m1/s1
InChIKey AEPRZIHZXHWUCN-PCINZECTSA-N
Molecular Weight 392.686 g/mol
SMILES O[C@]1(C[C@@]2(C(C3CCC4(C(C3CC2)CCC4C(CCCSC)C)C)(CC1)C)[H])[H]
SPLASH splash10-0596-0009000000-3aec409c69f35fb3cbb3
Source of Spectrum E1-34-1326-V-d
Wiley ID 1710240