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(22E,24R)-3.beta.-Hydroxy-24-methylcholesta-5,22-dien-7-one
SpectraBase Compound ID 4sS3nZDpscU
InChI InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-24,26,29H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,23-,24-,26-,27-,28+/m0/s1
InChIKey XVPOQMASFXVKPP-ORZGUDIVSA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H44O2
Exact Mass 412.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0ylvyxutRi
Name (22E,24R)-3.beta.-Hydroxy-24-methylcholesta-5,22-dien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O2
InChI InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-24,26,29H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,23-,24-,26-,27-,28+/m0/s1
InChIKey XVPOQMASFXVKPP-ORZGUDIVSA-N
Molecular Weight 412.658 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H]
SPLASH splash10-03dr-0095400000-afa5932c2c651231b913
Source of Spectrum X2-55-1592-4
Synonyms (3beta,22E)-3-hydroxyergosta-5,22-dien-7-one
Wiley ID 1604624