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

View entire compound with spectra: 1 MS (GC)

(4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID A61wltwCuex
InChI InChI=1S/C29H50O/c1-7-21-24-12-11-22-25-14-13-23(20(4)10-8-9-19(2)3)28(25,5)17-15-26(22)29(24,6)18-16-27(21)30/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,28-,29+/m1/s1
InChIKey KZDUNDANDLWCOV-UTYCGJCJSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfZQTVQG73Q
Name (4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (4S,5S,8S,9S,10R,13R,14S,17R)-4-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-7-21-24-12-11-22-25-14-13-23(20(4)10-8-9-19(2)3)28(25,5)17-15-26(22)29(24,6)18-16-27(21)30/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,28-,29+/m1/s1
InChIKey KZDUNDANDLWCOV-UTYCGJCJSA-N
Molecular Weight 414.718 g/mol
SMILES C1(CC[C@]2([C@]([C@@]1(CC)[H])(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)=O
SPLASH splash10-08fs-0091400000-da982b524a84fdb98424
Source of Spectrum K1-0-3697-9
Wiley ID 1589280