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20α,21-dihydroxypregna-5,16-dien-3-one, cyclic ethylene acetal, cyclic carbonate

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20α,21-dihydroxypregna-5,16-dien-3-one, cyclic ethylene acetal, cyclic carbonate
SpectraBase Compound ID 1EMD6QC0w68
InChI InChI=1S/C24H32O5/c1-22-9-10-24(27-11-12-28-24)13-15(22)3-4-16-17-5-6-19(20-14-26-21(25)29-20)23(17,2)8-7-18(16)22/h3,6,16-18,20H,4-5,7-14H2,1-2H3/t16-,17-,18-,20-,22-,23-/m0/s1
InChIKey XJZSMHQGZXYLDV-KKPVMHFXSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KKLE77HUUbI
Name 20α,21-dihydroxypregna-5,16-dien-3-one, cyclic ethylene acetal, cyclic carbonate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 39703-44-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-22-9-10-24(27-11-12-28-24)13-15(22)3-4-16-17-5-6-19(20-14-26-21(25)29-20)23(17,2)8-7-18(16)22/h3,6,16-18,20H,4-5,7-14H2,1-2H3/t16-,17-,18-,20-,22-,23-/m0/s1
InChIKey XJZSMHQGZXYLDV-KKPVMHFXSA-N
Literature Reference J. ORG. CHEM. 38, 2335(1973) Abstract-Chemical Abstracts= 79, 42738(1973)
Melting Point 229.5-232.5C
Molecular Weight 400.515015
Synonyms PREGNA-5,16-DIEN-3-ONE, 20A,21-DI- HYDROXY-, CYCLIC ETHYLENE ACETAL, CYCLIC CARBONATE
Technique KBr WAFER