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(22Z)-Cholesta-4,22-dien-3-one
SpectraBase Compound ID Ap5gU9lQOTZ
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,17-19,22-25H,7,9-16H2,1-5H3/b8-6+
InChIKey NADSFPYUTGUROD-SOFGYWHQSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32LR8p3yAgp
Name (22Z)-Cholesta-4,22-dien-3-one
CAS Registry Number 55688-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,17-19,22-25H,7,9-16H2,1-5H3/b8-6+
InChIKey NADSFPYUTGUROD-SOFGYWHQSA-N
Molecular Weight 382.632 g/mol
SMILES CC(C)C\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
SPLASH splash10-0002-7982000000-cb4dffeab47e1bd12b86
Source of Spectrum F-30-4101-22
Synonyms 10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 4,22-Cholestadien-3-one
Wiley ID 1360890