| Name |
Portisin A |
| Formula |
C42H39O18+ |
| Mw |
831.21363945 |
| CAS RN |
697743-99-0 |
| C_ID |
C00057502
|
| InChIKey |
HBVAAMYGPOELOV-HBCUZAELSA-O |
| InChICode |
InChI=1S/C42H38O18/c1-54-30-8-17(9-31(55-2)34(30)50)39-41(60-42-37(53)36(52)35(51)32(15-43)58-42)22-12-19(56-28-10-18(44)11-29(57-39)33(22)28)4-5-20-24(46)14-25(47)21-13-27(49)38(59-40(20)21)16-3-6-23(45)26(48)7-16/h3-12,14,27,32,35-38,42-43,49,51-53H,13,15H2,1-2H3,(H5-,44,45,46,47,48,50)/p+1/t27-,32+,35+,36-,37+,38+,42-/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc4c3c(c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(/C=C/c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)O4)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Vitaceae | Vitis vinifera  | Ref. |
|
|
zoom in
| Organism | Vitis vinifera |
|---|
| Reference | Mateus, N. et al., Tet. Lett., 2004, 45, 3455-3457 (Portisin A, synth, uv, pmr, cmr) |
|---|
|
