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

*Links on SpectraBase are not permalinks.

5β-pregnane-3α, 20β, 21-triol, 3,21-diacetate

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

5β-pregnane-3α, 20β, 21-triol, 3,21-diacetate
SpectraBase Compound ID JDPxmjZ3AyO
InChI InChI=1S/C25H40O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h17-23,28H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey OZASIKCBDLCYIK-MZXIXHSKSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 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 3svg8oMZpgu
Name 5β-pregnane-3α,20β,21-triol, 3,21-diacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16062-28-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h17-23,28H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey OZASIKCBDLCYIK-MZXIXHSKSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 135C
Molecular Weight 420.589996
Synonyms 5B-PREGNANE-3A,20B,21-TRIOL, 3,21-DI- ACETATE
Technique KBr WAFER