Protohypericin

9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione

Also Known As: Protohypericin|Protohypericin [M+H]+|DIFORMYLIMIDESODIUMSALT|hexahydroxy(dimethyl)[?]dione|HY-N4139|EX-A15597|TN2108|1,3,4,6,8,15-hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione|9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione|1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione|Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl-|Dibenzo[a,o]perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,13-dimethyl-|7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1(2),(1)?.0(3),?.0(1)?,(2)?.0(2)(1),(2)?.0(1)?,(2)?]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-9,20-dione|7,11,13,16,18,22-HEXAHYDROXY-5,24-DIMETHYLHEPTACYCLO[13.11.1.1(2),(1)?.0(3),?.0(1)?,(2)?.0(2)(1),(2)?.0(1)?,(2)?]OCTACOSA-1,3(8),4,6,10,12,14(28),15,17,19(27),21(26),22,24-TRIDECAENE-9,20-DIONE|7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecaene-9,20-dione|7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione|9,11,13,16,18,20-hexahydroxy-5,24-dimethyl-heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione

Molecular Formula	C30H18O8
Molecular Weight	506.10016 g/mol
LogP	3.8
Topological Polar Surface Area	156.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	0
Exact Mass	506.10016
Monoisotopic Mass	506.10016
Heavy Atoms	38
Complexity	1270.0

Chemical Identifiers

CAS Number	548-03-8
SMILES	CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O
InChIKey	DPKVSJZTYNGFAW-UHFFFAOYSA-N