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(8S,20S,22R)-des-A,B-22-methyl-cholestane-8.beta.,25-diol
SpectraBase Compound ID BF1wqifamI9
InChI InChI=1S/C19H36O2/c1-13(10-12-18(3,4)21)14(2)15-8-9-16-17(20)7-6-11-19(15,16)5/h13-17,20-21H,6-12H2,1-5H3/t13-,14+,15-,16+,17+,19-/m1/s1
InChIKey KTWQXOUHQIEZPM-MPTZMVSHSA-N
Mol Weight 296.5 g/mol
Molecular Formula C19H36O2
Exact Mass 296.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlOVWSTZNck
Name (8S,20S,22R)-des-A,B-22-methyl-cholestane-8.beta.,25-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O2
InChI InChI=1S/C19H36O2/c1-13(10-12-18(3,4)21)14(2)15-8-9-16-17(20)7-6-11-19(15,16)5/h13-17,20-21H,6-12H2,1-5H3/t13-,14+,15-,16+,17+,19-/m1/s1
InChIKey KTWQXOUHQIEZPM-MPTZMVSHSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 296.495 g/mol
Optical Rotation [a]D = +32.5 (c = 1.0, CHCl3)
Reported Formula C19H36O2
SMILES O[C@]1(CCC[C@@]2([C@@]([C@]([C@@](CCC(O)(C)C)(C)[H])(C)[H])(CC[C@@]12[H])[H])C)[H]
SPLASH splash10-03fr-0920000000-69d77b169198a80b69a1
Source of Spectrum AF-55-SM5-22a
Wiley ID 1852050