Bengenin

Catalog	BBC477907
CAS	477-90-7
Structure
Synonyms	Pimpinollin
IUPAC Name	(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Molecular Weight	328.27
Molecular Formula	C14H16O9
Canonical SMILES	COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O
InChI	InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChI Key	YWJXCIXBAKGUKZ-HJJNZUOJSA-N
Melting Point	237-240 °C (lit.)
Purity	98%
Density	1.39 g/ml
Appearance	White powder
pKa	8.26±0.70