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Carbamic acid, [(3.alpha.,5.alpha.)-cholestan-3-yl]-, ethyl ester
SpectraBase Compound ID BfXCvptmtVk
InChI InChI=1S/C30H53NO2/c1-7-33-28(32)31-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h20-27H,7-19H2,1-6H3,(H,31,32)/t21-,22+,23-,24?,25-,26?,27?,29+,30-/m1/s1
InChIKey MVNRVYCTJDAMMC-BGIBZVJRSA-N
Mol Weight 459.8 g/mol
Molecular Formula C30H53NO2
Exact Mass 459.40763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iNjcuZ0ts
Name Carbamic acid, [(3.alpha.,5.alpha.)-cholestan-3-yl]-, ethyl ester
CAS Registry Number 131351-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53NO2
InChI InChI=1S/C30H53NO2/c1-7-33-28(32)31-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h20-27H,7-19H2,1-6H3,(H,31,32)/t21-,22+,23-,24?,25-,26?,27?,29+,30-/m1/s1
InChIKey MVNRVYCTJDAMMC-BGIBZVJRSA-N
Molecular Weight 459.759 g/mol
SMILES N(C(=O)OCC)[C@@]1(CC[C@@]2(C3CC[C@]4(C(C3CC[C@]2(C1)[H])CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C)[H]
SPLASH splash10-074j-0009300000-22bcfd0f7ab64f7b8886
Source of Spectrum KC-1990-2425-54
Synonyms Cholestane, carbamic acid deriv. Ethyl (3alpha,5alpha)-cholestan-3-ylcarbamate Ethyl (5.alpha.-cholestan-3.alpha.-yl)carbamate
Wiley ID 1390297