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(8S,20R)-Des-A,B-22,22-dimethyl-cholestane-8.beta.,25-diol
SpectraBase Compound ID 5Br13GreL6W
InChI InChI=1S/C20H38O2/c1-14(18(2,3)12-13-19(4,5)22)15-9-10-16-17(21)8-7-11-20(15,16)6/h14-17,21-22H,7-13H2,1-6H3/t14-,15-,16+,17+,20-/m1/s1
InChIKey ZIHCXDFNYYBHRM-GFAJBQDWSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XuPIlr8Q8s
Name (8S,20R)-Des-A,B-22,22-dimethyl-cholestane-8.beta.,25-diol
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-14(18(2,3)12-13-19(4,5)22)15-9-10-16-17(21)8-7-11-20(15,16)6/h14-17,21-22H,7-13H2,1-6H3/t14-,15-,16+,17+,20-/m1/s1
InChIKey ZIHCXDFNYYBHRM-GFAJBQDWSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 310.522 g/mol
Optical Rotation [a]D = +21.2 (c = 0.988, CHCl3)
Reported Formula C20H38O2
SMILES O[C@]1(CCC[C@]2([C@]1(CC[C@@]2([C@](C(CCC(C)(C)O)(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-03di-1900000000-9f220855eff173cf88e1
Source of Spectrum AF-55-SM11-36
Wiley ID 1852064