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3α,11α,21-trihydroxy-5β-pregnan-20-one, cyclic ethylene acetal

View entire compound with spectra: 1 NMR, and 2 FTIR

3α,11α,21-trihydroxy-5β-pregnan-20-one, cyclic ethylene acetal
SpectraBase Compound ID 9toOtt0qmUy
InChI InChI=1S/C23H38O5/c1-21-8-7-15(25)11-14(21)3-4-16-17-5-6-19(23(13-24)27-9-10-28-23)22(17,2)12-18(26)20(16)21/h14-20,24-26H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,22+/m1/s1
InChIKey PEDFGVBQJVIBOQ-HKIIDDSJSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9UjxSi70fAR
Name 3α,11α,21-trihydroxy-5β-pregnan-20-one, cyclic ethylene acetal
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-21-8-7-15(25)11-14(21)3-4-16-17-5-6-19(23(13-24)27-9-10-28-23)22(17,2)12-18(26)20(16)21/h14-20,24-26H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,22+/m1/s1
InChIKey PEDFGVBQJVIBOQ-HKIIDDSJSA-N
Melting Point 198-200C
Molecular Weight 394.56
Technique FILM (CAST FROM ISOPROPYL ALCOHOL)