Sanggenone C

2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

Also Known As: Sanggenon C|Sanggenone C|Cathayanon E|Sanggenone-C|2-((1S,2R,3S)-2-(2,4-dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-benzofuro[3,2-b]chromen-11-one|2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one|2-((1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-(1)benzofuro(3,2-b)chromen-11-one

Molecular Formula	C40H36O12
Molecular Weight	708.2207 g/mol
LogP	6.3
Topological Polar Surface Area	214.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	708.2207
Monoisotopic Mass	708.2207
Heavy Atoms	52
Complexity	1430.0

Chemical Identifiers

CAS Number	80651-76-9
SMILES	CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C5=C(C=C4O)OC6(C7=C(C=C(C=C7)O)OC6(C5=O)O)CC=C(C)C)O
InChIKey	XETHJOZXBVWLLM-QAHMVTMMSA-N