Albaspidin Aa

Catalog	BBC3570409
CAS	3570-40-9
Structure
Synonyms	2,2'-Methylenebis(6-acetyl-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohe xadien-1-one)
IUPAC Name	2-Acetyl-4-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular Weight	404.41
Molecular Formula	C21H24O8
Canonical SMILES	CC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O
InChI	InChI=1S/C21H24O8/c1-8(22)12-14(24)10(16(26)20(3,4)18(12)28)7-11-15(25)13(9(2)23)19(29)21(5,6)17(11)27/h24-27H,7H2,1-6H3
InChI Key	OBCJMBQBESJUST-UHFFFAOYSA-N
Boiling Point	649.1±55.0 °C
Melting Point	164-166 °C
Purity	98%
Density	1.424±0.06 g/ml
Appearance	Powder
pKa	4.20±1.00