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Cholestane-3,5-diol, 5-acetate, (3beta,5alpha)-
SpectraBase Compound ID JtXAndCLkv3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(32-21(4)30)18-22(31)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24-,25+,26+,27-,28-,29-/m1/s1
InChIKey HBEWKQFSPOXTPI-MNHBJRBESA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4CmT4zalEY
Name Cholestane-3,5-diol, 5-acetate, (3beta,5alpha)-
CAS Registry Number 41721-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(32-21(4)30)18-22(31)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24-,25+,26+,27-,28-,29-/m1/s1
InChIKey HBEWKQFSPOXTPI-MNHBJRBESA-N
Molecular Weight 446.716 g/mol
SMILES O[C@@]1(C[C@]2([C@@]([C@]3(CC[C@]4([C@]([C@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CC1)C)OC(=O)C)[H]
SPLASH splash10-0a4l-9823000000-eaa28e018baf4db701c1
Synonyms Cholestane-3,5-diol, 5-acetate, (3.beta.,5.alpha.)- Cholestane-3,5-diol, 5-acetate, (3beta,5alpha)- Methyl acetate compound with 5-methylcholestan-3-ol (1:1)
Wiley ID 1485756