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3.beta.-(Propionic acid)-5.alpha.-cholestane methyl ester
SpectraBase Compound ID 220b1d3fk6V
InChI InChI=1S/C31H54O2/c1-21(2)8-7-9-22(3)26-13-14-27-25-12-11-24-20-23(10-15-29(32)33-6)16-18-30(24,4)28(25)17-19-31(26,27)5/h21-28H,7-20H2,1-6H3/t22-,23+,24?,25?,26-,27?,28+,30+,31-/m1/s1
InChIKey PGOTWDVYXBBEGX-CQXQICLYSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H54O2
Exact Mass 458.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4Qggx0MnmW
Name 3.beta.-(Propionic acid)-5.alpha.-cholestane methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H54O2
InChI InChI=1S/C31H54O2/c1-21(2)8-7-9-22(3)26-13-14-27-25-12-11-24-20-23(10-15-29(32)33-6)16-18-30(24,4)28(25)17-19-31(26,27)5/h21-28H,7-20H2,1-6H3/t22-,23+,24?,25?,26-,27?,28+,30+,31-/m1/s1
InChIKey PGOTWDVYXBBEGX-CQXQICLYSA-N
Molecular Weight 458.771 g/mol
SMILES [C@@]12(C(C3CCC4[C@@]([C@]3(CC2)[H])(CC[C@](CCC(=O)OC)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-0udr-0159400000-e2f899a569bef1afee7d
Source of Spectrum F-50-12641-18
Synonyms Methyl 3-[(3beta)-cholestan-3-yl]propanoate
Wiley ID 789979