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3-(Acetic acid)-5.alpha.-cholestane,methyl ester
SpectraBase Compound ID GWpqkvZnKbq
InChI InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-18-22(19-28(31)32-6)14-16-29(23,4)27(24)15-17-30(25,26)5/h20-27H,7-19H2,1-6H3/t21-,22?,23+,24?,25-,26?,27+,29+,30-/m1/s1
InChIKey UZXMFPBQYXIZCF-UUGSJUPWSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pOri2hBWAH
Name 3-(Acetic acid)-5.alpha.-cholestane,methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-18-22(19-28(31)32-6)14-16-29(23,4)27(24)15-17-30(25,26)5/h20-27H,7-19H2,1-6H3/t21-,22?,23+,24?,25-,26?,27+,29+,30-/m1/s1
InChIKey UZXMFPBQYXIZCF-UUGSJUPWSA-N
Molecular Weight 444.744 g/mol
SMILES [C@@]12(C(C3CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(CC(=O)OC)C4)C)[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-007x-6391200000-6b119f2c77f1e39880a4
Source of Spectrum F-50-11640-11
Synonyms Methyl (5alpha)-cholestan-3-ylacetate
Wiley ID 789988