Meldenin

[(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate

Also Known As: Meldenin|[(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate|(13alpha,17alpha)-6alpha-Acetoxy-21,23-epoxy-7alpha-hydroxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-trien-3-one|17-(Furan-3-yl)-7-hydroxy-4,4,8-trimethyl-3-oxoandrost-14-en-6-yl acetate|((5R,6R,7S,8R,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta(a)phenanthren-6-yl) acetate|(8xi)-17alpha-(Furan-3-yl)-7alpha-hydroxy-4,4,8-trimethyl-3-oxo-5alpha,13alpha-androst-14-en-6alpha-yl acetate|[(5R,6R,7S,8R,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate|[(5r,6r,7s,9r,10r,13s,17r)-17-furan-3-yl-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate

Molecular Formula	C28H38O5
Molecular Weight	454.2719 g/mol
LogP	4.6
Topological Polar Surface Area	76.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	454.2719
Monoisotopic Mass	454.2719
Heavy Atoms	33
Complexity	891.0

Chemical Identifiers

CAS Number	19865-83-9
SMILES	CC(=O)O[C@@H]1[C@@H]2[C@](CCC(=O)C2(C)C)([C@H]3CC[C@]4([C@@H](CC=C4C3([C@@H]1O)C)C5=COC=C5)C)C
InChIKey	KKBYMJHRFVZUIQ-SAGQAIRCSA-N