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5.alpha.-Cholestan-19-oic acid, 2.beta.-methoxy-, methyl ester
SpectraBase Compound ID K3FAC1YnCdc
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-14-15-25-23-13-11-21-10-12-22(31-5)18-29(21,27(30)32-6)26(23)16-17-28(24,25)4/h19-26H,7-18H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,28-,29-/m1/s1
InChIKey KEWYKLVMTHPQNM-RQBZSRIGSA-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 aW2yG2Eee
Name 5.alpha.-Cholestan-19-oic acid, 2.beta.-methoxy-, methyl ester
CAS Registry Number 24649-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-14-15-25-23-13-11-21-10-12-22(31-5)18-29(21,27(30)32-6)26(23)16-17-28(24,25)4/h19-26H,7-18H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,28-,29-/m1/s1
InChIKey KEWYKLVMTHPQNM-RQBZSRIGSA-N
Molecular Weight 446.716 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC[C@](C1)(OC)[H])[H])[H])C(=O)OC
SPLASH splash10-01ot-0004900000-ab074a825411299b74ba
Source of Spectrum O-4-379-13
Synonyms 2.beta.-methoxy-19-carbomethoxy-5.alpha.-cholestane Methyl (2beta,5alpha)-2-methoxycholestan-19-oate
Wiley ID 1386809