For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3α,17,20β-trihydroxy-5β-pregnan-21-oic acid, methyl ester

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

3α,17,20β-trihydroxy-5β-pregnan-21-oic acid, methyl ester
SpectraBase Compound ID 5ScHJSY4Ezo
InChI InChI=1S/C22H36O5/c1-20-9-6-14(23)12-13(20)4-5-15-16(20)7-10-21(2)17(15)8-11-22(21,26)18(24)19(25)27-3/h13-18,23-24,26H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18-,20+,21+,22+/m1/s1
InChIKey WKNCIKWCZRYOLS-ULEIETTHSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 15HXaCIw1o3
Name 3α,17,20β-trihydroxy-5β-pregnan-21-oic acid, methyl ester
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16109-57-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-20-9-6-14(23)12-13(20)4-5-15-16(20)7-10-21(2)17(15)8-11-22(21,26)18(24)19(25)27-3/h13-18,23-24,26H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18-,20+,21+,22+/m1/s1
InChIKey WKNCIKWCZRYOLS-ULEIETTHSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 203-205C
Molecular Weight 380.524994
Synonyms 5B-PREGNAN-21-OIC ACID, 3A,17,20B-TRI- HYDROXY-, METHYL ESTER
Technique KBr WAFER