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3α-hydroxy-5β-pregnan-20-one, cyclic ethylene mercaptole
SpectraBase Compound ID 66EQIuhoU8q
InChI InChI=1S/C23H38OS2/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h15-20,24H,4-14H2,1-3H3/t15-,16-,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey OAYKLPQKTFDXAJ-ITZNTROMSA-N
Mol Weight 394.7 g/mol
Molecular Formula C23H38OS2
Exact Mass 394.236408 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LFvwT1pDNc8
Name 3α-hydroxy-5β-pregnan-20-one, cyclic ethylene mercaptole
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16054-58-3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38OS2
InChI InChI=1S/C23H38OS2/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h15-20,24H,4-14H2,1-3H3/t15-,16-,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey OAYKLPQKTFDXAJ-ITZNTROMSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968)
Melting Point 182.5-183C
Molecular Weight 394.675995
Synonyms 5B-PREGNAN-20-ONE, 3A-HYDROXY-, CYCLIC ETHYLENE MERCAPTOLE
Technique KBr WAFER