CAS Registry Number®
81525-13-5
CAS Name
Forsythoside B
Molecular Formula
C34H44O19
Molecular Mass
756.70
Other Names and Identifiers
InChI
InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1
InChIKey
InChIKey=JMBINOWGIHWPJI-UNSOMVRXSA-N
SMILES
O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](OCCC4=CC(O)=C(O)C=C4)O[C@@H]2CO[C@H]5[C@H](O)[C@](CO)(O)CO5
Canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OCC(O)(CO)C4O)C=CC5=CC=C(O)C(O)=C5
Other Names for this Substance
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-D-apio-β-D-furanosyl-(1→6)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)]-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-D-apio-β-D-furanosyl-(1→6)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)]-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
- Forsythoside B