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24-Ethylcholesta-4,24(28)-dien-3-one
SpectraBase Compound ID 4SBR3SqBYWo
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,18-20,24-27H,8-17H2,1-6H3/b21-7-/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey JKNOXDGSYQSJQT-SHONWSSPSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZQ9soVYTG0
Name 24-Ethylcholesta-4,24(28)-dien-3-one
CAS Registry Number 56143-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,18-20,24-27H,8-17H2,1-6H3/b21-7-/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey JKNOXDGSYQSJQT-SHONWSSPSA-N
Molecular Weight 410.686 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CC\C(=C\C)C(C)C)(C)[H])[H])[H])C
SPLASH splash10-03di-0019600000-ca2d4a752aa87905e003
Source of Spectrum G4-62-227-4
Synonyms (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1607722