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5β-pregnane-3α,17,20β-triol, 3,20-diacetate

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

5β-pregnane-3α,17,20β-triol, 3,20-diacetate
SpectraBase Compound ID LGaR51hMLax
InChI InChI=1S/C25H40O5/c1-15(29-16(2)26)25(28)13-10-22-20-7-6-18-14-19(30-17(3)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h15,18-22,28H,6-14H2,1-5H3/t15-,18-,19-,20-,21+,22+,23+,24+,25+/m1/s1
InChIKey COXXOOWTEWCQRW-FXQIGAMPSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4kGKhc7gxtr
Name 5β-pregnane-3α,17,20β-triol, 3,20-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 C25H40O5
InChI InChI=1S/C25H40O5/c1-15(29-16(2)26)25(28)13-10-22-20-7-6-18-14-19(30-17(3)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h15,18-22,28H,6-14H2,1-5H3/t15-,18-,19-,20-,21+,22+,23+,24+,25+/m1/s1
InChIKey COXXOOWTEWCQRW-FXQIGAMPSA-N
Melting Point 196-197.5C
Molecular Weight 420.589996
Synonyms 5B-PREGNANE-3A,17,20B-TRIOL, 3,20-DI- ACETATE
Technique KBr WAFER