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

*Links on SpectraBase are not permalinks.

3α,17,21-trihydroxy-5β-pregnan-20-one, 3,21-diacetate

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

3α,17,21-trihydroxy-5β-pregnan-20-one, 3,21-diacetate
SpectraBase Compound ID ItvyxqOSQWF
InChI InChI=1S/C25H38O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h17-21,29H,5-14H2,1-4H3/t17-,18-,19-,20+,21+,23+,24+,25+/m1/s1
InChIKey DQHCVJQZPHDDTB-IQGOHZNHSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H38O6
Exact Mass 434.266839 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 5H8KDrkT6yb
Name 3α,17,21-trihydroxy-5β-pregnan-20-one, 3,21-diacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16065-02-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O6
InChI InChI=1S/C25H38O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h17-21,29H,5-14H2,1-4H3/t17-,18-,19-,20+,21+,23+,24+,25+/m1/s1
InChIKey DQHCVJQZPHDDTB-IQGOHZNHSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 208-209.5C
Molecular Weight 434.572998
Synonyms 5B-PREGNAN-20-ONE, 3A,17,21-TRI- HYDROXY-, 3,21-DIACETATE
Technique KBr WAFER