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METHYL-3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-BETA-CARBOXYLATE

View entire compound with spectra: 1 NMR, and 2 FTIR

METHYL-3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-BETA-CARBOXYLATE
SpectraBase Compound ID 3eV78ZEJrg5
InChI InChI=1S/C21H34O3/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/h13-18,22H,4-12H2,1-3H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey NTIDOCUQWIFRTK-DATPGIFZSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EuWoaQbG6Bi
Name 3α-hydroxy-5β-androstane-17β-carboxylic acid, methyl ester
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/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/h13-18,22H,4-12H2,1-3H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey NTIDOCUQWIFRTK-DATPGIFZSA-N
Melting Point 145-146C
Molecular Weight 334.50
Technique KBr WAFER