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(22S)3 beta.,7,.beta.,22-Dihydroxycholesterol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(22S)3 beta.,7,.beta.,22-Dihydroxycholesterol
SpectraBase Compound ID 73vWDuRScLw
InChI InChI=1S/C27H46O3/c1-16(2)6-9-23(29)17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey ULLWYOKOOHAYDJ-GQPIHPSPSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q4Z2gsNW9v
Name (22S)3 Beta.,7,.beta.,22-Dihydroxycholesterol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-16(2)6-9-23(29)17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey ULLWYOKOOHAYDJ-GQPIHPSPSA-N
Molecular Weight 418.662 g/mol
SMILES O[C@]1(CC[C@]2(C(=C[C@@]([C@]3([C@]4([C@@]([C@@]([C@@]([C@](CCC(C)C)(O)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(O)[H])C1)C)[H]
SPLASH splash10-0udi-0001900000-8d717c9bfbd4968daff7
Source of Spectrum SO-0-1004-6
Synonyms (22S)-7,.beta.,22-Dihydroxycholesterol (3beta,7beta,22S)-cholest-5-ene-3,7,22-triol
Wiley ID 1539697