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5β-Androstan-3-one-17β-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5β-Androstan-3-one-17β-carboxylic acid, methyl ester
SpectraBase Compound ID 45XFFTvjKS8
InChI InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey YSBQFDHILMUWPK-VEVMSBRDSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9moRQ5XcU0o
Name METHYL-3-OXO-5-BETA-ANDROSTAN-17-BETA-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey YSBQFDHILMUWPK-VEVMSBRDSA-N
Literature Reference Author A.M.SELDES,M.E.DELUCA,E.G.GROS
Literature Reference Citation MAGN.RES.CHEM.,24,185(1986)
Literature Reference DOI 10.1002/mrc.1260240302
Molecular Weight 332.483 g/mol
Solvent CDCl3
Source File Reference UNIW18357