| Name |
3-trans-p-Coumaroylrotundic acid |
| Formula |
C39H54O7 |
| Mw |
634.38695408 |
| CAS RN |
144624-03-3 |
| C_ID |
C00055086
|
| InChIKey |
WSWPNGAODCKAHB-IFRVZBAOSA-N |
| InChICode |
InChI=1S/C39H54O7/c1-24-15-20-39(33(43)44)22-21-36(4)27(32(39)38(24,6)45)12-13-29-34(2)18-17-30(35(3,23-40)28(34)16-19-37(29,36)5)46-31(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32,40-41,45H,13,15-23H2,1-6H3,(H,43,44)/b14-9+/t24-,28-,29-,30+,32-,34+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES |
OC1=CC=C(/C=C/C(O[C@@H]2[C@@](C)(CO)[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)CC2)=O)C=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Eriobotrya japonica  | Ref. |
|
|
zoom in
| Organism | Eriobotrya japonica |
|---|
| Reference | Oyama, T. et al., Tet. Lett., 1968, 9, 4639-4641 (Rotundic acid) |
|---|
|
