CAS Registry Number®
104777-68-6
CAS Name
Plantamajoside
Molecular Formula
C29H36O16
Molecular Mass
640.59
Other Names and Identifiers
InChI
InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
InChIKey
InChIKey=KFEFLPDKISUVNR-QJEHNBJNSA-N
SMILES
O([C@H]1[C@H](OC(/C=C/C2=CC(O)=C(O)C=C2)=O)[C@@H](CO)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(CO)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4
Other Names for this Substance
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-β-D-glucopyranosyl-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-β-D-glucopyranosyl-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
- Purpureaside A
- Plantamoside
- Plantamajoside
