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

View entire compound with spectra: 1 MS (GC)

(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3S,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-3-hydroxy-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 3SqfG3Dt0U5
InChI InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,25+,26-,27-,28-/m1/s1
InChIKey SBSXXCCMIWEPEE-ZYHQBPDMSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hcqDaNIh8B
Name (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3S,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,25+,26-,27-,28-/m1/s1
InChIKey SBSXXCCMIWEPEE-ZYHQBPDMSA-N
Molecular Weight 448.688 g/mol
SMILES O[C@]1(CC[C@]2([C@@](C(C[C@]3([C@]4([C@@]([C@@]([C@@]([C@]([C@]([C@@](C(C)C)(C)[H])(O)[H])(O)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])=O)(C1)[H])C)[H]
SPLASH splash10-0002-0009000000-4eaa2432a751167b4bcd
Source of Spectrum KC-0-234-4
Synonyms (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4S,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4S,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID 828206