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(22E)-5.alpha.-Cholesta-7,22-diene-3.beta.,6.alpha.-diol
SpectraBase Compound ID 8tCilCPUqW8
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h6,8,16-19,21-25,28-29H,7,9-15H2,1-5H3/b8-6+/t18-,19+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey RHLOAZDVZXHHBO-DALYSMNMSA-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 DIoe1i3FB4y
Name (22E)-5.alpha.-Cholesta-7,22-diene-3.beta.,6.alpha.-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h6,8,16-19,21-25,28-29H,7,9-15H2,1-5H3/b8-6+/t18-,19+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey RHLOAZDVZXHHBO-DALYSMNMSA-N
Molecular Weight 400.647 g/mol
SMILES O[C@@]1([C@@]2([C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3(C2=C1)[H])([C@@](\C=C\CC(C)C)(C)[H])[H])C)[H])C)[H])[H]
SPLASH splash10-0udi-0094500000-9d9a4588670693d78c03
Source of Spectrum X2-52-959-5
Synonyms (3beta,5alpha,6alpha,22E)-cholesta-7,22-diene-3,6-diol
Wiley ID 1603258