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3α,20β-dihydroxy-5β-pregnan-21-oic acid, methyl ester, diacetate
SpectraBase Compound ID 63oZR81nccX
InChI InChI=1S/C26H40O6/c1-15(27)31-18-10-12-25(3)17(14-18)6-7-19-20-8-9-22(26(20,4)13-11-21(19)25)23(24(29)30-5)32-16(2)28/h17-23H,6-14H2,1-5H3/t17-,18-,19+,20+,21+,22-,23+,25+,26+/m1/s1
InChIKey HKKZBHQEFJKNKN-JDTMGIRBSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FtB1eBRyl1G
Name 3α,20β-dihydroxy-5β-pregnan-21-oic acid, methyl ester, diacetate
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 C26H40O6
InChI InChI=1S/C26H40O6/c1-15(27)31-18-10-12-25(3)17(14-18)6-7-19-20-8-9-22(26(20,4)13-11-21(19)25)23(24(29)30-5)32-16(2)28/h17-23H,6-14H2,1-5H3/t17-,18-,19+,20+,21+,22-,23+,25+,26+/m1/s1
InChIKey HKKZBHQEFJKNKN-JDTMGIRBSA-N
Melting Point 168-168.5C
Molecular Weight 448.600006
Synonyms 5B-PREGNAN-21-OIC ACID, 3A,20B-DI- HYDROXY-, METHYL ESTER, DIACETATE
Technique KBr WAFER