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5β-pregnane-3α,17,21-triol, 3,21-diacetate

View entire compound with spectra: 1 FTIR

5β-pregnane-3α,17,21-triol, 3,21-diacetate
SpectraBase Compound ID BV4wCQuWmrL
InChI InChI=1S/C25H40O5/c1-16(26)29-14-13-25(28)12-9-22-20-6-5-18-15-19(30-17(2)27)7-10-23(18,3)21(20)8-11-24(22,25)4/h18-22,28H,5-15H2,1-4H3/t18-,19-,20-,21+,22+,23+,24+,25+/m1/s1
InChIKey PPUGSQPTCPGZPP-UBFKPNPXSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9lAI82DCJbZ
Name 5β-pregnane-3α,17,21-triol, 3,21-diacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16054-63-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-16(26)29-14-13-25(28)12-9-22-20-6-5-18-15-19(30-17(2)27)7-10-23(18,3)21(20)8-11-24(22,25)4/h18-22,28H,5-15H2,1-4H3/t18-,19-,20-,21+,22+,23+,24+,25+/m1/s1
InChIKey PPUGSQPTCPGZPP-UBFKPNPXSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point 56-58C
Molecular Weight 420.589996
Synonyms 5B-PREGNANE-3A,17,21-TRIOL, 3,21-DI- ACETATE
Technique KBr WAFER