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Cholesta-5,22-diene-1,3-diol, (1.alpha.,3.beta.,22Z)-
SpectraBase Compound ID 5SdVGeJKCJ7
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h6,8-9,17-18,20-25,28-29H,7,10-16H2,1-5H3/b8-6+/t18-,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1
InChIKey FFZZZCRRBHRJPG-INSJUBHMSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbvZAgMpEaR
Name Cholesta-5,22-diene-1,3-diol, (1.alpha.,3.beta.,22Z)-
CAS Registry Number 83872-79-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h6,8-9,17-18,20-25,28-29H,7,10-16H2,1-5H3/b8-6+/t18-,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1
InChIKey FFZZZCRRBHRJPG-INSJUBHMSA-N
Molecular Weight 400.647 g/mol
SMILES O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](\C=C\CC(C)C)(C)[H])[H])C)[H])C)(O)[H])[H]
SPLASH splash10-0a4i-9233000000-46099eec324b4cc8e011
Source of Spectrum H-65-1518-0
Synonyms (1alpha,3beta,22E)-cholesta-5,22-diene-1,3-diol (22e/z)-5,22-cholestadien-1.alpha.,3.beta.-diol
Wiley ID 1369709