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5β-pregnane-3α,20α-diol, 20-acetate

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

5β-pregnane-3α,20α-diol, 20-acetate
SpectraBase Compound ID LneFyWH6bAJ
InChI InChI=1S/C23H38O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,25H,5-13H2,1-4H3/t14-,16+,17+,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey GQXZPRCPDHVBKD-KWTODDMMSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CnV7miFYXTI
Name 5β-pregnane-3α,20α-diol, 20-acetate
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 C23H38O3
InChI InChI=1S/C23H38O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,25H,5-13H2,1-4H3/t14-,16+,17+,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey GQXZPRCPDHVBKD-KWTODDMMSA-N
Melting Point 175.5-176.5C
Molecular Weight 362.553986
Synonyms 5B-PREGNANE-3A,20A-DIOL, 20-ACETATE
Technique KBr WAFER