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(22S,23Z)-Cholesta-5,23-diene-3.beta.,22-diol

View entire compound with spectra: 1 MS (GC)

(22S,23Z)-Cholesta-5,23-diene-3.beta.,22-diol
SpectraBase Compound ID Ca3FWeDyYEt
InChI InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-25,28-29H,8-10,12-16H2,1-5H3/b11-6-/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey HHJZSGKDIWOGBN-UGZIMJBASA-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 JrzEabVdlZr
Name (22S,23Z)-Cholesta-5,23-diene-3.beta.,22-diol
Alternate Name(s) (3beta,22S,23Z)-cholesta-5,23-diene-3,22-diol
CAS Registry Number 70813-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-25,28-29H,8-10,12-16H2,1-5H3/b11-6-/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey HHJZSGKDIWOGBN-UGZIMJBASA-N
Molecular Weight 400.647 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@]([C@](\C=C/C(C)C)(O)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-001i-4093000000-08c75a16a95825df1484
Source of Spectrum J-44-3380-0
Wiley ID 1369711