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

*Links on SpectraBase are not permalinks.

21-Bromo-5β-pregnane-3α,17,20β-triol

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

21-Bromo-5β-pregnane-3α,17,20β-triol
SpectraBase Compound ID 37kTQnJoi0O
InChI InChI=1S/C21H35BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,23-25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey JWXXSPSZWMEELO-HEEAJRSSSA-N
Mol Weight 415.4 g/mol
Molecular Formula C21H35BrO3
Exact Mass 414.176958 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 9TRte4gtBe9
Name 21-Bromo-5β-pregnane-3α,17,20β-triol
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16064-99-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35BrO3
InChI InChI=1S/C21H35BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,23-25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey JWXXSPSZWMEELO-HEEAJRSSSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 164-165C (dec.)
Molecular Weight 415.417999
Synonyms 5B-PREGNANE-3A,17,20B-TRIOL, 21-BROMO-,
Technique KBr WAFER