For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(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

View entire 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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FbwtVupbVKc
Name (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
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-SMYFRTDVSA-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-0029000000-3aeacd7f14b8a40fb0cb
Source of Spectrum F-52-2445-15
Synonyms (2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,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,3R,4R,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 795275