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Carbamic acid, [(3.alpha.,5.alpha.)-cholest-1-en-3-yl]-, ethyl ester
SpectraBase Compound ID JSOFnjFM6gC
InChI InChI=1S/C30H51NO2/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/h15,17,20-27H,7-14,16,18-19H2,1-6H3,(H,31,32)/t21-,22+,23-,24?,25-,26?,27?,29+,30-/m1/s1
InChIKey KBIIVCZMOMISBJ-BGIBZVJRSA-N
Mol Weight 457.7 g/mol
Molecular Formula C30H51NO2
Exact Mass 457.39198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTqVeLZ19UT
Name Carbamic acid, [(3.alpha.,5.alpha.)-cholest-1-en-3-yl]-, ethyl ester
Alternate Name(s) Cholestane, carbamic acid deriv. Ethyl (3alpha,5alpha)-cholest-1-en-3-ylcarbamate Ethyl (5.alpha.-cholest-1-en-3.alpha.-yl)carbamate
CAS Registry Number 131317-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H51NO2
InChI InChI=1S/C30H51NO2/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/h15,17,20-27H,7-14,16,18-19H2,1-6H3,(H,31,32)/t21-,22+,23-,24?,25-,26?,27?,29+,30-/m1/s1
InChIKey KBIIVCZMOMISBJ-BGIBZVJRSA-N
Molecular Weight 457.743 g/mol
SMILES N(C(=O)OCC)[C@]1(C[C@]2([C@@](C3CC[C@]4(C(C3CC2)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)(C=C1)C)[H])[H]
SPLASH splash10-014i-0009300000-d8d4c7923adf22d9b32b
Source of Spectrum KC-1990-2425-3
Wiley ID 1389684