Protocetraric acid

10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid

Also Known As: Protocetraric acid|Protocetrarsaure|8-Amino-4-hydroxynaphthalene-2-sulphonic acid|10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid|11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-|4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid|4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid|10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid|10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo(b)(1,4)benzodioxepine-2-carboxylic acid|15-formyl-6,14-dihydroxy-7-(hydroxymethyl)-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid|4-Formyl-3,8-dihydroxy-9- -1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylicacid|4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid

Molecular Formula	C18H14O9
Molecular Weight	374.06378 g/mol
LogP	2.04254
Topological Polar Surface Area	150.59 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	374.06378
Monoisotopic Mass	374.06378
Heavy Atoms	27
Complexity	1020.7131

Chemical Identifiers

CAS Number	489-51-0
SMILES	CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O