Trisalbaspidin ABA

Catalog	BBC38226845
CAS	38226-84-5
Structure
Synonyms	2,4-Bis[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadienyl)methyl]-6-butyrylbenzene-1,3,5-triol
IUPAC Name	2-Acetyl-4-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular Weight	612.62
Molecular Formula	C32H36O12
Canonical SMILES	CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O)CC3=C(C(C(=O)C(=C3O)C(=O)C)(C)C)O)O
InChI	InChI=1S/C32H36O12/c1-8-9-18(35)21-23(37)14(10-16-25(39)19(12(2)33)29(43)31(4,5)27(16)41)22(36)15(24(21)38)11-17-26(40)20(13(3)34)30(44)32(6,7)28(17)42/h36-42H,8-11H2,1-7H3
InChI Key	KMSLYJLZKAMWMU-UHFFFAOYSA-N
Purity	98%
Density	1.468±0.06 g/ml
Appearance	Yellow powder