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(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

View entire compound with spectra: 1 MS (GC)

(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
SpectraBase Compound ID Dq64NyZ8HrS
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-BWSKMWORSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H50O5
Exact Mass 478.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VHv7Fb0xhE
Name (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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O5
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-BWSKMWORSA-N
Molecular Weight 478.714 g/mol
SMILES O[C@]([C@]([C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(C[C@@]([C@@](C[C@]4(C(C3)=O)[H])(O)[H])(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(O)[H])([C@](C(C)C)(CC)[H])[H]
SPLASH splash10-03di-0009000000-6d09fccf654a40f65fbf
Source of Spectrum F-52-2445-14
Synonyms (2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-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-[(2S,3S,4S,5S)-5-ethyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID 795274