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(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Compound with spectra: 1 MS (GC)

(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
SpectraBase Compound ID JdxcnfOVYSW
InChI InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,24+,25-,26+,27+,28+,29+/m0/s1
InChIKey WADMTJKRYLAHQV-SMYFRTDVSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H50O5
Exact Mass 478.365825 g/mol
Enantiomer InChIKey WADMTJKRYLAHQV-XCWCIGJESA-N

View Spectrum of (2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

MS (GC) Spectrum
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Source of Spectrum F-52-2445-15
HOMO-CASTASTERONE
(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(22R,23R)-2.beta.,3.beta.,22,23-Tetrahydroxy-5.alpha.-stigmastan-6-one
(2S,3R,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
17-(2,3-dihydroxy-1,4,5-trimethyl-hexyl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
CASTASTERONE
(22R,23R,24R)-24-Azido-26,27,28-trinorcastasterone-2,3,22,23-tetraol
25-Hydroxy-24-epicastasterone
DOLICHOSTERONE
(3R,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5S)-6-methyl-3,4-bis(oxidanyl)-5-(trifluoromethyl)heptan-2-yl]-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
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