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

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

5β-pregnane-3α,17,20β-triol, 20-acetate
SpectraBase Compound ID LbRrP3DDulU
InChI InChI=1S/C23H38O4/c1-14(27-15(2)24)23(26)12-9-20-18-6-5-16-13-17(25)7-10-21(16,3)19(18)8-11-22(20,23)4/h14,16-20,25-26H,5-13H2,1-4H3/t14-,16-,17-,18-,19+,20+,21+,22+,23+/m1/s1
InChIKey ISOFTVAMNBRUSH-NXFDXQIRSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8oHlyqzOz0x
Name 5β-pregnane-3α,17,20β-triol, 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 C23H38O4
InChI InChI=1S/C23H38O4/c1-14(27-15(2)24)23(26)12-9-20-18-6-5-16-13-17(25)7-10-21(16,3)19(18)8-11-22(20,23)4/h14,16-20,25-26H,5-13H2,1-4H3/t14-,16-,17-,18-,19+,20+,21+,22+,23+/m1/s1
InChIKey ISOFTVAMNBRUSH-NXFDXQIRSA-N
Melting Point 158-159C
Molecular Weight 378.56
Technique KBr WAFER