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

*Links on SpectraBase are not permalinks.

21-Hydroxypregn-4-en-3-one, carbonate (2:1)

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

21-Hydroxypregn-4-en-3-one, carbonate (2:1)
SpectraBase Compound ID 3lKe7s8A1rY
InChI InChI=1S/C43H62O5/c1-40-21-15-37-33(9-5-29-25-31(44)13-19-42(29,37)3)35(40)11-7-27(40)17-23-47-39(46)48-24-18-28-8-12-36-34-10-6-30-26-32(45)14-20-43(30,4)38(34)16-22-41(28,36)2/h25-28,33-38H,5-24H2,1-4H3/t27-,28-,33+,34+,35+,36+,37+,38+,40-,41-,42+,43+/m1/s1
InChIKey YBRJVUGNFUZYRO-JACKJDOSSA-N
Mol Weight 659.0 g/mol
Molecular Formula C43H62O5
Exact Mass 658.459725 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 EHU10fhmd46
Name 21-Hydroxypregn-4-en-3-one, carbonate (2:1)
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 C43H62O5
InChI InChI=1S/C43H62O5/c1-40-21-15-37-33(9-5-29-25-31(44)13-19-42(29,37)3)35(40)11-7-27(40)17-23-47-39(46)48-24-18-28-8-12-36-34-10-6-30-26-32(45)14-20-43(30,4)38(34)16-22-41(28,36)2/h25-28,33-38H,5-24H2,1-4H3/t27-,28-,33+,34+,35+,36+,37+,38+,40-,41-,42+,43+/m1/s1
InChIKey YBRJVUGNFUZYRO-JACKJDOSSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 193-195C
Molecular Weight 658.963989
Synonyms PREGN-4-EN-3-ONE, 21-HYDROXY-, CARBONATE /2 TO 1/
Technique KBr WAFER