3α,20α-dihydroxy-5β-pregnan-21-oic acid, methyl ester, diacetate

SpectraBase Compound ID	4G8vawxCDN2
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-YSUORENVSA-N Google Search
Mol Weight	448.6 g/mol
Molecular Formula	C26H40O6
Exact Mass	448.282489 g/mol

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SpectraBase Spectrum ID	Cm6uIZdyMPw
Name	3α,20α-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-YSUORENVSA-N
Melting Point	122-124C
Molecular Weight	448.600006
Synonyms	5B-PREGNAN-21-OIC ACID, 3A,20A-DI- HYDROXY-, METHYL ESTER, DIACETATE
Technique	KBr WAFER