3-Epioleandrigenin

[(3R,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

CAS: 508-20-3

Molecular Formula	`C25H36O6`
Molecular Weight	432.5 g/mol
LogP	1.9
Topological Polar Surface Area	93.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	432.2512
Heavy Atoms	31
Complexity	821.0

Chemical Identifiers

CAS Number	508-20-3
SMILES	`CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O`
InChIKey	`IWCNCUVTGOMGKG-YBHZWUQGSA-N`

📖 Product Overview

3-Epioleandrigenin (CAS: 508-20-3) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.5 g/mol. Its IUPAC systematic name is [(3R,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate. LogP 1.9 Topological Polar Surface Area 93.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 432.2512 Heavy Atoms 31 Complexity 821.0 InChI Key: IWCNCUVTGOMGKG-YBHZWUQGSA-N. SMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O.

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