3,5-Di-O-galloylshikimic acid

(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

Also Known As: 3,5-Di-O-galloylshikimic acid|GN-11|(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid|3,5-Di-O-galloylshikimic acid, >=95% (LC/MS-ELSD)|(3R,4S,5R)-4-hydroxy-3,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexene-1-carboxylic acid|(3R)-3beta,5alpha-Bis[(3,4,5-trihydroxybenzoyl)oxy]-4beta-hydroxy-1-cyclohexene-1-carboxylic acid|(3R,4R,5R)-3,5-Bis(3,4,5-trihydroxyphenylcarbonyloxy)-4-hydroxycyclohex-1-enecarboxylic acid|(3R,4S,5R)-4-Hydroxy-3,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohex-1-ene-1-carboxylic acid|(3R,4S,5R)-4-HYDROXY-3,5-BIS(3,4,5-TRIHYDROXYBENZOYLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID|(3R,4S,5R)-4-Hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohex-1-ene-1-carboxylic acid|Benzoic acid, 3,4,5-trihydroxy-, (1R,2S,3R)-5-carboxy-2-hydroxy-4-cyclohexene-1,3-diyl ester|NCGC00347854-02!(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

Molecular Formula	C21H18O13
Molecular Weight	478.07474 g/mol
LogP	0.6
Topological Polar Surface Area	232.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	478.07474
Monoisotopic Mass	478.07474
Heavy Atoms	34
Complexity	788.0

Chemical Identifiers

CAS Number	95753-52-9
SMILES	C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O
InChIKey	GASRJYBPBZZTBO-IIDMSEBBSA-N