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Cholesta-3,5-dien-7-one
SpectraBase Compound ID EvjUAKtSNE4
InChI InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3
InChIKey TTXJJFWWNDJDNR-UHFFFAOYSA-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 B1iC1W8JHlo
Name Cholesta-3,5-dien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3
InChIKey TTXJJFWWNDJDNR-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 382.632 g/mol
SMILES C(C)(CCCC(C)C)C1C2(C)C(CC1)C1C(CC2)C2(C(=CC1=O)C=CCC2)C
SPLASH splash10-0089-1925000000-6a1ffffef2c669cc12cd
Source of Spectrum SRH-2022-7252-0
Wiley ID 1829051