Granulatine

10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid

Also Known As: Granulatine|Virensic acid|4-Formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid|10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid|1,6,9-Trimethyl-3,8-dihydroxy-4-formyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid|10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid|11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-|11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylicacid, 4-formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-|15-formyl-6,14-dihydroxy-4,7,12-trimethyl-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-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

Molecular Formula	C18H14O8
Molecular Weight	358.06888 g/mol
LogP	2.85866
Topological Polar Surface Area	130.36 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	358.06888
Monoisotopic Mass	358.06888
Heavy Atoms	26
Complexity	1003.4714

Chemical Identifiers

CAS Number	668-14-4
SMILES	CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C=O)O