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2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid

Compound with spectra: 1 MS (GC)

2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid
SpectraBase Compound ID FSr6Jy7X3uV
InChI InChI=1S/C29H50O4/c1-18(2)7-6-8-19(3)22-9-10-23-21-11-14-29(33)17-25(30)20(15-26(31)32)16-28(29,5)24(21)12-13-27(22,23)4/h18-25,30,33H,6-17H2,1-5H3,(H,31,32)/t19-,20+,21+,22-,23+,24+,25+,27-,28-,29-/m1/s1
InChIKey KTLTVJCHOOHBMQ-CTVRLNGYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol
Enantiomer InChIKey KTLTVJCHOOHBMQ-FETUYDBTSA-N

View Spectrum of 2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid

MS (GC) Spectrum
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Source of Spectrum J-59-4398-16
(2S,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-prop-2-enyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
2.beta.,3.beta.-Dihydro-3'H-cyclopropa[2,3]cholestan-5.alpha.-ol
2.alpha.,3.alpha,-Epoxycholestan-5.alpha.-ol
(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,5-diol
(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
(3R,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-5-oxidanyl-3-phenyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one
(2S,5R)-Hydroxyperoxy-3-(phenylthio)-4-nor-3,4-secocholestan-5-one 2,5-peroxyhemiacetal
4-ALPHA-ACETOXY-5-ALPHA-CHOLESTAN-5-ALPHA-OL
5.beta.-Cholestane-4.beta.,5-diol, 4-acetate
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