Albaspidin Ap

CAS	59092-91-0
IUPAC Name	2-Acetyl-4-[(2,6-dihydroxy-3,3-dimethyl-4-oxo-5-propanoylcyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular Weight	418.44
Molecular Formula	C22H26O8
Canonical SMILES	CCC(=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/C22H26O8/c1-7-12(24)14-16(26)11(18(28)22(5,6)20(14)30)8-10-15(25)13(9(2)23)19(29)21(3,4)17(10)27/h25-28H,7-8H2,1-6H3
InChI Key	KINDGCLGBSBXOD-UHFFFAOYSA-N
Boiling Point	654.8±55.0 °C
Purity	98%
Density	1.392±0.06 g/ml
Appearance	Powder