Physciondianthrone structure

Physciondianthrone

10-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one

Also Known As: Physciondianthrone|Physcion-10,10'-bianthrone|[9,9'-Bianthracene]-10,10'(9H,9'H)-dione,4,4',5,5'-tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl-|10-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one|4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl(9,9'-bianthracene)-10,10'(9H,9'H)-dione|4,4',5,5'-TETRAHYDROXY-2,2'-DIMETHOXY-7,7'-DIMETHYL-9H,9'H,10H,10'H-[9,9'-BIANTHRACENE]-10,10'-DIONE|4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione|6,6 -Dimethoxy-3,3 -dimethyl-1,1 ,8,8 -tetrahydroxy-10,10 -bianthracene-9,9 (10H,10 H)-dione

CAS: 21871-90-9
Molecular Formula C32H26O8
Molecular Weight 538.1628 g/mol
LogP 6.4
Topological Polar Surface Area 134.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 3
Exact Mass 538.1628
Monoisotopic Mass 538.1628
Heavy Atoms 40
Complexity 895.0

Chemical Identifiers

CAS Number 21871-90-9
SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)OC)C=C(C=C3O)OC
InChIKey CZJNLQOXUCEPOH-UHFFFAOYSA-N

Product Overview

Physciondianthrone (CAS 21871-90-9), with molecular formula C32H26O8 and molecular weight 538.1628 g/mol. IUPAC: 10-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one.

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