| Name |
Isochestanin |
| Formula |
C40H42O26 |
| Mw |
938.19643152 |
| CAS RN |
115356-01-9 |
| C_ID |
C00056518
|
| InChIKey |
UJJJMPAJSVUXAT-HUSRFXDFSA-N |
| InChICode |
InChI=1S/C40H42O26/c41-8-23-26(51)28(53)31(56)39(62-23)65-35-17(44)1-12(2-18(35)45)10-60-37(58)14-5-21(48)34(22(49)6-14)64-33-15(7-16(43)25(50)30(33)55)38(59)61-11-13-3-19(46)36(20(47)4-13)66-40-32(57)29(54)27(52)24(9-42)63-40/h1-7,23-24,26-29,31-32,39-57H,8-11H2/t23-,24-,26-,27-,28+,29+,31-,32-,39+,40+/m1/s1 |
| SMILES |
O=C(OCc1cc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1cc(O)c(Oc2c(C(=O)OCc3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc(O)c(O)c2O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Castanea mollissima  | Ref. |
|
|
zoom in
| Organism | Castanea mollissima |
|---|
| Reference | Feng, H. et al., Phytochemistry, 1988, 27, 1185-1189 (isol, pmr, cmr) |
|---|
|
