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3α,12α-dihydroxy-5β-pregnan-20-one, diacetate

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

3α,12α-dihydroxy-5β-pregnan-20-one, diacetate
SpectraBase Compound ID HvbxQJBQ8kx
InChI InChI=1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChIKey VYZPGMGWYUEREY-LCLDLZHKSA-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 8d4aYNCfLEV
Name 3α,12α-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/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChIKey VYZPGMGWYUEREY-LCLDLZHKSA-N
Melting Point 120-121C
Molecular Weight 418.574005
Synonyms 5B-PREGNAN-20-ONE, 3A,12A-DIHYDROXY-, DIACETATE
Technique KBr WAFER