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20β,21-dihydroxypregn-5-en-3-one, cyclic ethylene acetal, 21-acetate
SpectraBase Compound ID 64Wdh4Or3sR
InChI InChI=1S/C25H38O5/c1-16(26)28-15-22(27)21-7-6-19-18-5-4-17-14-25(29-12-13-30-25)11-10-23(17,2)20(18)8-9-24(19,21)3/h4,18-22,27H,5-15H2,1-3H3/t18-,19-,20-,21+,22+,23-,24-/m0/s1
InChIKey HSLUTPUZDVKXLW-KQYJBWEHSA-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 GQoRGEsbcQe
Name 20β,21-dihydroxypregn-5-en-3-one, cyclic ethylene acetal, 21-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 26437-02-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-16(26)28-15-22(27)21-7-6-19-18-5-4-17-14-25(29-12-13-30-25)11-10-23(17,2)20(18)8-9-24(19,21)3/h4,18-22,27H,5-15H2,1-3H3/t18-,19-,20-,21+,22+,23-,24-/m0/s1
InChIKey HSLUTPUZDVKXLW-KQYJBWEHSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 157-158.5C
Molecular Weight 418.574005
Synonyms PREGN-5-EN-3-ONE, 20B,21-DI- HYDROXY-, CYCLIC ETHYLENE ACETAL, 21-ACETATE
Technique KBr WAFER