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17,20β,21-trihydroxypregn-5-en-3-one, cyclic ethylene acetal, 21-acetate
SpectraBase Compound ID Hm79NVmnVIC
InChI InChI=1S/C25H38O6/c1-16(26)29-15-21(27)25(28)9-7-20-18-5-4-17-14-24(30-12-13-31-24)11-10-22(17,2)19(18)6-8-23(20,25)3/h4,18-21,27-28H,5-15H2,1-3H3/t18-,19+,20+,21-,22+,23+,25+/m1/s1
InChIKey NMGQJIOOGPEYAE-HHPHWUFRSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H38O6
Exact Mass 434.266839 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7KKhGzYGNDG
Name 17,20β,21-trihydroxypregn-5-en-3-one, cyclic ethylene acetal, 21-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 39704-07-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O6
InChI InChI=1S/C25H38O6/c1-16(26)29-15-21(27)25(28)9-7-20-18-5-4-17-14-24(30-12-13-31-24)11-10-22(17,2)19(18)6-8-23(20,25)3/h4,18-21,27-28H,5-15H2,1-3H3/t18-,19+,20+,21-,22+,23+,25+/m1/s1
InChIKey NMGQJIOOGPEYAE-HHPHWUFRSA-N
Literature Reference J. ORG. CHEM. 38, 2335(1973) Abstract-Chemical Abstracts= 79, 42738(1973)
Melting Point 195-196C
Molecular Weight 434.572998
Synonyms PREGN-5-EN-3-ONE, 17,20B,21-TRI- HYDROXY-, CYCLIC ETHYLENE ACETAL, 21-ACETATE
Technique KBr WAFER