| Name |
Pedunculine |
| Formula |
C43H52N2O7 |
| Mw |
708.37745203 |
| CAS RN |
168922-21-2 |
| C_ID |
C00042833
, 
|
| InChIKey |
BQLFDPKQNAVFJA-HPUREZPJNA-N |
| InChICode |
InChI=1S/C43H52N4O7/c1-7-40-13-12-27-43(14-16-46(38(40)43)20-26-35(40)53-26)28-21(10-9-11-24(28)45(27)3)30-33-36(54-33)41(8-2)19-22(37(49)52-6)34-42(15-17-47(30)39(41)42)23-18-25(48)31(50-4)32(51-5)29(23)44-34/h9-11,18,26-27,30,33,35-36,38-39,44,48H,7-8,12-17,19-20H2,1-6H3/t26-,27+,30-,33-,35-,36-,38+,39+,40-,41-,42+,43-/m1/s1 |
| SMILES |
CC[C@@]12CC[C@@H]3N(C)c4cccc([C@@H]5[C@H]6O[C@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8c(cc(O)c(OC)c8OC)[C@@]78CCN5[C@@H]68)c4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Tabernaemontana bovina | Ref. |
|
|
zoom in
| Organism | Tabernaemontana bovina |
|---|
| Reference | Lien,Phytochem.,49,(1998),1457 |
|---|
|
