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Cholestane-3,25-diol, (3.alpha.,5.beta.)-
SpectraBase Compound ID FLUraprL3Wp
InChI InChI=1S/C27H48O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h18-24,28-29H,6-17H2,1-5H3/t18-,19?,20-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey LRVVKLCNAWNZES-SJICRAKFSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CtyGQJY5NW
Name Cholestane-3,25-diol, (3.alpha.,5.beta.)-
CAS Registry Number 34389-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h18-24,28-29H,6-17H2,1-5H3/t18-,19?,20-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey LRVVKLCNAWNZES-SJICRAKFSA-N
Molecular Weight 404.679 g/mol
SMILES O[C@@]1(CC[C@]2(C(CC[C@]3([C@]4([C@@]([C@@]([C@@](CCCC(O)(C)C)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-000i-0009000000-9dc7c866b09d7807bae2
Source of Spectrum KC-1989-467-10
Synonyms (3alpha)-cholestane-3,25-diol 3.beta.-cholestane-3.alpha.,25-diol 5.beta.-cholestane-3.alpha.,25-diol Coprostane-3.alpha.,25-diol
Wiley ID 1371590