| Name |
3-trans-Caffeoyltormentic acid |
| Formula |
C39H54O8 |
| Mw |
650.3818687 |
| CAS RN |
144604-16-0 |
| C_ID |
C00055127
|
| InChIKey |
MFPIVTNHMCQSEM-NEXBUHEBSA-N |
| InChICode |
InChI=1S/C39H54O8/c1-22-14-17-39(33(44)45)19-18-36(5)24(31(39)38(22,7)46)10-12-29-35(4)21-27(42)32(34(2,3)28(35)15-16-37(29,36)6)47-30(43)13-9-23-8-11-25(40)26(41)20-23/h8-11,13,20,22,27-29,31-32,40-42,46H,12,14-19,21H2,1-7H3,(H,44,45)/b13-9+/t22-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES |
OC1=C(O)C=CC(/C=C/C(O[C@@H]2C(C)(C)[C@@](CC[C@]3(C)[C@]4([H])CC=C5[C@@]3(C)CC[C@]6(C(O)=O)[C@@]5([H])[C@](C)(O)[C@H](C)CC6)([H])[C@]4(C)C[C@H]2O)=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Eriobotrya japonica  | Ref. |
|
|
zoom in
| Organism | Eriobotrya japonica |
|---|
| Reference | Potier, P. et al., Bull. Soc. Chim. Fr., 1966, 3458-3465 (Tormentic acid, struct) |
|---|
|
