Lophotoxin

[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

Also Known As: Lophotoxin|LOPHOTOXIN [MI]|11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R,2S,4S,10R,12R,14R,15R)-|11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R-(1R*,2S*,4S*,10R*,12R*,14R*,15R*))-|[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate|(1R)-1-hydroxy-4-isopropyl-7-methoxy-1,6-dimethyl-naphthalen-2-one|(22R,23R,41R,44R,45R,5S,7S)-14-formyl-23-methyl-42-oxo-7-(prop-1-en-2-yl)-43,46-dioxa-1(2,5)-furana-2(2,3)-oxirana-4(4,1)-bicyclo[3.1.0]hexanacyclooctaphane-5-yl acetate|11,16,18,19-Tetraoxapentacyclo(12.2.2.1(sup 6,9).0(sup 1,15).0(10,12))nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R-(1R*,2S*,4S*,10R*,12R*,14R*,15R*))-|((1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-dien-2-yl) acetate|((1S,2R,4R,10S,12R,14S,15S)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-dien-2-yl) acetate|(1R,2S,4S,10R,12R,14R,15R)-2-(Acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde

Molecular Formula	C22H24O8
Molecular Weight	416.14713 g/mol
LogP	2.45
Topological Polar Surface Area	107.87 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	416.14713
Heavy Atoms	30
Complexity	962.3

Chemical Identifiers

CAS Number	78697-56-0
SMILES	CC(=C)[C@H]1C[C@@H]([C@]23[C@H](O2)[C@@H](C[C@@]4([C@@H](O4)C5=CC(=C(C1)O5)C=O)C)OC3=O)OC(=O)C