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(2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromanyl-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2-oxidanyl-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,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromanyl-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
SpectraBase Compound ID 1tLlmFXgtwv
InChI InChI=1S/C28H47BrO4/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-23(30)21-12-22(29)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-22,24-26,31-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,24+,25-,26-,27-,28-/m1/s1
InChIKey XSKQGLDQSFELLY-NCYNIRJJSA-N
Mol Weight 527.6 g/mol
Molecular Formula C28H47BrO4
Exact Mass 526.265773 g/mol
Enantiomer InChIKey XSKQGLDQSFELLY-BLDIFEOCSA-N

View Spectrum of (2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromanyl-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2-oxidanyl-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 KC-0-1497-12
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
(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
(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
(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
HOMO-CASTASTERONE
(22R,23R,24R)-24-Azido-26,27,28-trinorcastasterone-2,3,22,23-tetraol
25-Hydroxy-24-epicastasterone
(22R,23R,24R)-2.beta.,3.beta-Epoxy-22,23-dihydroxy-24-methyl-5.alpha.-cholestan-6-one
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