Calceolarioside B

Catalog	BBC105471985
CAS	105471-98-5
Structure
Synonyms	Desrhamnosyl isoacteoside
IUPAC Name	[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	478.43
Molecular Formula	C23H26O11
Canonical SMILES	C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O
InChI	InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
InChI Key	LFKQVVDFNHDYNK-FOXCETOMSA-N
Boiling Point	799.8±60.0 °C
Purity	98%
Density	1.58 g/ml
Appearance	Powder
pKa	9.32±0.10