| Name |
3-O-p-cis-Coumaroylalphitolic acid |
| Formula |
C39H54O6 |
| Mw |
618.39203946 |
| CAS RN |
67911-64-2 |
| C_ID |
C00054300
|
| InChIKey |
AQHKWALTXQHZKK-JVJDLVJMSA-N |
| InChICode |
InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10-/t26-,27+,28+,29-,30+,32+,33-,36-,37+,38+,39-/m0/s1 |
| SMILES |
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=Cc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Zizyphus jujuba  | Ref. |
|
|
zoom in
| Organism | Zizyphus jujuba |
|---|
| Reference | Cheung, H.T. et al., JCS(C), 1968, 1047-1051 (Alphitolic acid) |
|---|
|
