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3α-hydroxy-5β-pregnan-21-oic acid, methyl ester, acetate
SpectraBase Compound ID 4oTbAZcUlom
InChI InChI=1S/C24H38O4/c1-15(25)28-18-9-11-23(2)16(13-18)5-7-19-20-8-6-17(14-22(26)27-4)24(20,3)12-10-21(19)23/h16-21H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey MOMHWVMPEBQTAF-JRXFWGSLSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JZkXD4B70L5
Name 3α-hydroxy-5β-pregnan-21-oic acid, methyl ester, acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16054-69-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-15(25)28-18-9-11-23(2)16(13-18)5-7-19-20-8-6-17(14-22(26)27-4)24(20,3)12-10-21(19)23/h16-21H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey MOMHWVMPEBQTAF-JRXFWGSLSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point 109-111C
Molecular Weight 390.563995
Synonyms 5B-PREGNAN-21-OIC ACID, 3A-HYDROXY-, METHYL ESTER, ACETATE
Technique KBr WAFER