CAS Registry Number®
105471-98-5
CAS Name
Calceolarioside B
Molecular Formula
C23H26O11
Molecular Mass
478.45
Other Names and Identifiers
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
InChIKey
InChIKey=LFKQVVDFNHDYNK-FOXCETOMSA-N
SMILES
O(CCC1=CC(O)=C(O)C=C1)[C@@H]2O[C@H](COC(/C=C/C3=CC(O)=C(O)C=C3)=O)[C@@H](O)[C@H](O)[C@H]2O
Canonical SMILES
O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(O)C(O)C1O)C=CC3=CC=C(O)C(O)=C3
Other Names for this Substance
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
- Calceolarioside B
- ZINC 14512219
- Desrhamnosylisoacteoside
