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Cholesta-8,24-dien-3-one, 4-methyl-, (4.beta.)-
SpectraBase Compound ID 7LvYLFmbFAw
InChI InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24+,27-,28+/m1/s1
InChIKey DBPZYKHQDWKORQ-PSIAUDTGSA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Wrmm5vC1zI
Name Cholesta-8,24-dien-3-one, 4-methyl-, (4.beta.)-
CAS Registry Number 55449-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24+,27-,28+/m1/s1
InChIKey DBPZYKHQDWKORQ-PSIAUDTGSA-N
Molecular Weight 396.659 g/mol
SMILES C=12[C@@]3(C([C@@](C)(C(CC3)=O)[H])CCC1[C@@]1(CC[C@@]([C@]1(CC2)C)([C@@](CCC=C(C)C)(C)[H])[H])[H])C
SPLASH splash10-01ta-0910000000-e853ea572c5266e4eacc
Source of Spectrum T-67-4795-0
Synonyms (4beta)-4-methylcholesta-8,24-dien-3-one 4.beta.-methyl-.delta.8,24-cholestadien-3-one
Wiley ID 56807