Trifolirhizin

Catalog	BBC6807836
CAS	6807-83-6
Structure
Synonyms	Maackiain 3-glucoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol
Molecular Weight	446.4
Molecular Formula	C22H22O10
Canonical SMILES	C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
InChI	InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
InChI Key	VGSYCWGXBYZLLE-QEEQPWONSA-N
Boiling Point	658.7±55.0 °C
Melting Point	142-144 °C
Purity	98%
Density	1.59 g/ml
Appearance	Powder
pKa	12.77±0.70