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Methyl (2S,6R)-6-((5S,10R,13R,14R,17R)-10,13-dimethyl-3-oxo-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate

Compound with spectra: 1 MS (GC)

Methyl (2S,6R)-6-((5S,10R,13R,14R,17R)-10,13-dimethyl-3-oxo-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
SpectraBase Compound ID LOT6BJZdiW2
InChI InChI=1S/C28H42O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h10,13,15,18-20,23-25H,6-9,11-12,14,16-17H2,1-5H3/t18-,19+,20+,23-,24+,25?,27+,28-/m1/s1
InChIKey SGKGCVXNXCQNDJ-IQJMWHLXSA-N
Mol Weight 426.6 g/mol
Molecular Formula C28H42O3
Exact Mass 426.313395 g/mol
Enantiomer InChIKey SGKGCVXNXCQNDJ-CQSRHRCBSA-N

View Spectrum of Methyl (2S,6R)-6-((5S,10R,13R,14R,17R)-10,13-dimethyl-3-oxo-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate

MS (GC) Spectrum
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Source of Spectrum Parag Mahanti, et al. Cell Metabolism, V.19, 2014, P.73-83
5.beta.-cholesta-1,7-dien-3-one
5.beta.-cholesta-1,4,7-trien-3-one
(4R)-4-[(5R,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxo-4,5,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
3.beta.-Hydroxy-5.beta.-chola-1,7-dien-24-al
3.alpha.-Hydroxy-5.beta.-chola-1,7-dien-24-al
5.beta.-chola-1,7-dien-3.alpha.,24-diol
5.beta.-chola-1,7-dien-3.beta.,24-diol
(3S,5R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-4,5,6,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-ol
(4R)-4-[(2S,5R,9R,10S,13R,14R,17R)-2-bromo-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Trimethylsilyl (2S,6R)-6-((5S,10S,13R,14R,17R)-10,13-dimethyl-3-((trimethylsilyl)oxy)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
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