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(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester

Compound with spectra: 1 MS (GC)

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester
SpectraBase Compound ID 2n1al2fGyRY
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)21-12-13-22-20-10-11-24-26(27(31)32-6)25(30)15-17-29(24,5)23(20)14-16-28(21,22)4/h18-26,30H,7-17H2,1-6H3/t19-,20+,21-,22+,23+,24+,25+,26+,28-,29-/m1/s1
InChIKey GBNVZRCPWVMIOO-JUQKYFIPSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol
Enantiomer InChIKey GBNVZRCPWVMIOO-DWLSYTFFSA-N

View Spectrum of (3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester

MS (GC) Spectrum
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Source of Spectrum K1-0-3700-18
(3R,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
(4S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4-carboxylic acid methyl ester
4.beta.-(Phenylsulfanyl)-5.alpha.-cholestan-3.alpha.-ol
KIHEISTERONE-D
5a-Cholestane-3a,4b-diol-4b-acetate
4-BETA-ACETOXY-5-ALPHA-CHOLESTAN-3-ALPHA-OL
A-Norcholestane-3-carboxylic acid, 2-oxo-, methyl ester, (3.alpha.)-
A-Homocholestane, 3,5-epoxy-4a-iodo-, (3.alpha.,4a.beta.,5.alpha.)-
4.beta.-Nitro-5.beta.-chloestan-3-one
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