Pregnan-20-one, 12-(acetyloxy)-3,14-dihydroxy-11-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3.beta.,11.alpha.,12.beta.,14.beta.)-

SpectraBase Compound ID	KINW5OKKZly
InChI	InChI=1S/C32H42O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(29(31(24,32)4)38-20(2)34)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,22-25,27-29,35,37H,11-12,14-18H2,1-4H3/b13-10+
InChIKey	AAHUGUDHVQKKSK-JLHYYAGUSA-N Google Search
Mol Weight	538.7 g/mol
Molecular Formula	C32H42O7
Exact Mass	538.293054 g/mol

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SpectraBase Spectrum ID	CF5PxxQCaEd
Name	Pregnan-20-one, 12-(acetyloxy)-3,14-dihydroxy-11-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3.beta.,11.alpha.,12.beta.,14.beta.)-
Alternate Name(s)	12-(Acetyloxy)-3,14-dihydroxy-20-oxopregnan-11-yl (2E)-3-phenyl-2-propenoate (12-acetoxy-17-acetyl-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl) (E)-3-phenylprop-2-enoate (17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl) (E)-3-phenylprop-2-enoate (E)-3-phenyl-2-propenoic acid (17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl) ester (E)-3-phenylacrylic acid (12-acetoxy-17-acetyl-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl) ester
CAS Registry Number	55529-71-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H42O7
InChI	InChI=1S/C32H42O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(29(31(24,32)4)38-20(2)34)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,22-25,27-29,35,37H,11-12,14-18H2,1-4H3/b13-10+
InChIKey	AAHUGUDHVQKKSK-JLHYYAGUSA-N
Molecular Weight	538.681 g/mol
SMILES	OC1CCC2(C3C(C4(CCC(C4(C(C3OC(=O)\C=C\c3ccccc3)OC(C)=O)C)C(C)=O)O)CCC2C1)C
SPLASH	splash10-053r-6932000000-f309d309ee17f82c93b9
Source of Spectrum	AD-0-229-0
Wiley ID	64056