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3α,21-dihydroxy-5β-pregnan-20-one, diacetate
SpectraBase Compound ID F5JINDbzk0F
InChI InChI=1S/C25H38O5/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/h17-22H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,24+,25+/m1/s1
InChIKey AELZDZIWKOZSSW-YVDGILBISA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID D3fRidJwZq0
Name 3α,21-dihydroxy-5β-pregnan-20-one, diacetate
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 C25H38O5
InChI InChI=1S/C25H38O5/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/h17-22H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,24+,25+/m1/s1
InChIKey AELZDZIWKOZSSW-YVDGILBISA-N
Literature Reference J. ORG. CHEM. 28, 2001(1963) Abstract-Chemical Abstracts= 59, 6474C(1963)
Melting Point 97-98C
Molecular Weight 418.574005
Synonyms 5B-PREGNAN-20-ONE, 3A,21-DIHYDROXY-, DIACETATE
Technique KBr WAFER