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5β-Pregnan-3α,17-diol-20-one 3-acetate
SpectraBase Compound ID EzUTAHhkIz7
InChI InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+/m1/s1
InChIKey TVQDBRRFOFGWDS-NZXYYOKSSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8WIC8gRhSVx
Name 5β-Pregnan-3α,17-diol-20-one 3-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 C23H36O4
InChI InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+/m1/s1
InChIKey TVQDBRRFOFGWDS-NZXYYOKSSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 118416(1968)
Melting Point 200-202C
Molecular Weight 376.536987
Synonyms 5B-PREGNAN-20-ONE, 3A,17-DIHYDROXY-, 3-ACETATE
Technique KBr WAFER