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(20S)-20,25-Dihydroxy-5.alpha.-cholestan-3.beta.-yl acetate
SpectraBase Compound ID B8ZLVvYebsX
InChI InChI=1S/C29H50O4/c1-19(30)33-21-12-16-27(4)20(18-21)8-9-22-23-10-11-25(28(23,5)17-13-24(22)27)29(6,32)15-7-14-26(2,3)31/h20-25,31-32H,7-18H2,1-6H3/t20-,21-,22?,23?,24?,25-,27-,28-,29-/m0/s1
InChIKey ZUEQVZWGGWYEAB-FPOOSZDBSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjTUYAzKRiD
Name (20S)-20,25-Dihydroxy-5.alpha.-cholestan-3.beta.-yl acetate
Alternate Name(s) (3beta,5alpha)-20,25-dihydroxycholestan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-19(30)33-21-12-16-27(4)20(18-21)8-9-22-23-10-11-25(28(23,5)17-13-24(22)27)29(6,32)15-7-14-26(2,3)31/h20-25,31-32H,7-18H2,1-6H3/t20-,21-,22?,23?,24?,25-,27-,28-,29-/m0/s1
InChIKey ZUEQVZWGGWYEAB-FPOOSZDBSA-N
Molecular Weight 462.715 g/mol
SMILES O[C@@](CCCC(O)(C)C)([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])C
SPLASH splash10-066r-0098100000-05f59f32ada06f4ca610
Source of Spectrum K-2001-2234-28
Wiley ID 1579686