7-Oxohinokinin

Catalog	BBC130837922
CAS	130837-92-2
Synonyms	2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylcarbonyl)-4-(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4R)-
IUPAC Name	(3S,4R)-3-(1,3-benzodioxole-5-carbonyl)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Molecular Weight	368.3
Molecular Formula	C20H16O7
Canonical SMILES	C1C(C(C(=O)O1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI	InChI=1S/C20H16O7/c21-19(12-2-4-15-17(7-12)27-10-25-15)18-13(8-23-20(18)22)5-11-1-3-14-16(6-11)26-9-24-14/h1-4,6-7,13,18H,5,8-10H2/t13-,18-/m0/s1
InChI Key	NJTZMJYMSGEBJC-UGSOOPFHSA-N
Boiling Point	611.5±55.0 °C
Melting Point	109.5-111.0 °C
Purity	98%
Density	1.450±0.06 g/ml
Appearance	Powder
pKa	11.59±0.40