3α-hydroxy-20-oxo-5β-pregnan-21-al, 21-(dimethyl acetal)

SpectraBase Compound ID	BgRaKc3WXLO
InChI	InChI=1S/C25H40O5/c1-15(26)30-17-10-12-24(2)16(14-17)6-7-18-19-8-9-21(22(27)23(28-4)29-5)25(19,3)13-11-20(18)24/h16-21,23H,6-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,24+,25+/m1/s1
InChIKey	QKEXQOIIOJAERS-MMKGBGHDSA-N Google Search
Mol Weight	420.6 g/mol
Molecular Formula	C25H40O5
Exact Mass	420.287574 g/mol

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SpectraBase Spectrum ID	LJPctbVlmlL
Name	3α-hydroxy-20-oxo-5β-pregnan-21-al, 21-(dimethyl acetal)
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	C25H40O5
InChI	InChI=1S/C25H40O5/c1-15(26)30-17-10-12-24(2)16(14-17)6-7-18-19-8-9-21(22(27)23(28-4)29-5)25(19,3)13-11-20(18)24/h16-21,23H,6-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,24+,25+/m1/s1
InChIKey	QKEXQOIIOJAERS-MMKGBGHDSA-N
Melting Point	112.5-113.5C
Molecular Weight	420.589996
Synonyms	5B-PREGNAN-21-AL, 3A-HYDROXY-20-OXO-, 21-/DIMETHYL ACETAL/
Technique	KBr WAFER