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5.alpha.-Cholestane-1.alpha.,19-diol, 19-acetate

View entire compound with spectra: 1 MS (GC)

5.alpha.-Cholestane-1.alpha.,19-diol, 19-acetate
SpectraBase Compound ID AOPi9ZwZjyD
InChI InChI=1S/C29H50O3/c1-19(2)8-6-9-20(3)24-14-15-25-23-13-12-22-10-7-11-27(31)29(22,18-32-21(4)30)26(23)16-17-28(24,25)5/h19-20,22-27,31H,6-18H2,1-5H3/t20-,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey FRBFNTJPESUBFI-MYHAIKEGSA-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 B3PrbgwXN2G
Name 5.alpha.-Cholestane-1.alpha.,19-diol, 19-acetate
Alternate Name(s) (1alpha,5alpha)-1-hydroxycholestan-19-yl acetate 1.alpha.-hydroxy-19-acetoxymethyl-5.alpha.-cholestane
CAS Registry Number 28809-70-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-6-9-20(3)24-14-15-25-23-13-12-22-10-7-11-27(31)29(22,18-32-21(4)30)26(23)16-17-28(24,25)5/h19-20,22-27,31H,6-18H2,1-5H3/t20-,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey FRBFNTJPESUBFI-MYHAIKEGSA-N
Molecular Weight 446.716 g/mol
SMILES O[C@@]1([C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CCC1)[H])[H])COC(=O)C)[H]
SPLASH splash10-05g1-0009300000-82ac78d5829d2a7285ce
Source of Spectrum O-4-377-2
Wiley ID 1386812