Peroxyhypocrellin

2-acetyl-4,18,25-trihydroxy-3,13,15,20-tetramethoxy-25-methyl-23,24-dioxaheptacyclo[20.2.1.01,6.05,10.07,21.08,17.09,14]pentacosa-3,5,8(17),9,12,15,20-heptaene-11,19-dione

Also Known As: Peroxyhypocrellin|2-acetyl-4,18,25-trihydroxy-3,13,15,20-tetramethoxy-25-methyl-23,24-dioxaheptacyclo[20.2.1.01,6.05,10.07,21.08,17.09,14]pentacosa-3,5,8(17),9,12,15,20-heptaene-11,19-dione|8a,13b-Epidioxy-2H-cyclohepta(ghi)perylene-6,12(1H,3H)-dione, 3-acetyl-2,5,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-|11-Acetyl-3,9,15-trihydroxy-1,5,6,10-tetramethoxy-15-methyl-11,14b-dihydro-3H-11a,14-methano-12,13-dioxabenzo[kl]heptaleno[2,1,10,9-defg]anthracene-2,8(5aH,14H)-dione|8a,13b-Epidioxy-2H-cyclohepta0ghi)perylene-6,12(1H,3H)-dione, 3-acetyl-2,5,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-

Molecular Formula	C30H28O12
Molecular Weight	580.1581 g/mol
LogP	-3.1
Topological Polar Surface Area	167.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	580.1581
Monoisotopic Mass	580.1581
Heavy Atoms	42
Complexity	1660.0

Chemical Identifiers

CAS Number	80047-67-2
SMILES	CC(=O)C1C(=C(C2=C3C14C(C(C5=C(C(=O)C(C6=C(C53)C7=C2C(=O)C=C(C7C(=C6)OC)OC)O)OC)OO4)(C)O)O)OC
InChIKey	IJDYTMZCLRHIPL-UHFFFAOYSA-N