| Name |
Portisin C |
| Formula |
C40H35O17+ |
| Mw |
787.1874247 |
| CAS RN |
864655-44-7 |
| C_ID |
C00057609
|
| InChIKey |
IEKGWWNMOFDXEZ-WTEGMRMWSA-O |
| InChICode |
InChI=1S/C40H34O17/c41-14-31-33(50)34(51)35(52)40(55-31)57-39-21-11-18(53-29-9-17(42)10-30(32(21)29)54-37(39)16-2-6-23(44)27(48)8-16)3-4-19-24(45)13-25(46)20-12-28(49)36(56-38(19)20)15-1-5-22(43)26(47)7-15/h1-11,13,28,31,33-36,40-41,49-52H,12,14H2,(H6-,42,43,44,45,46,47,48)/p+1/t28?,31-,33-,34+,35-,36?,40+/m1/s1 |
| SMILES |
OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)[o+]c3cc(O)cc4c3c2C=C(/C=C/c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)O4)[C@H](O)[C@@H](O)[C@@H]1O |
| 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) |
|---|
|
