| Name |
Brachyaconitine |
| Formula |
C38H53NO11 |
| Mw |
699.36186154 |
| CAS RN |
173220-47-8 |
| C_ID |
C00027954
, 
|
| InChIKey |
KAJLTFUQEZFKBL-WHEPPJHONA-N |
| InChICode |
InChI=1S/C38H53NO11/c1-7-9-11-16-25(41)50-38-26-22(18-36(44,33(48-6)31(38)42)32(26)49-34(43)21-14-12-10-13-15-21)37-24(46-4)17-23(40)35(20-45-3)19-39(8-2)30(37)27(38)28(47-5)29(35)37/h9-15,22-24,26-33,40,42,44H,7-8,16-20H2,1-6H3/b11-9+/t22-,23-,24+,26-,27+,28-,29-,30-,31+,32+,33+,35+,36-,37+,38+/m1/s1 |
| SMILES |
CC/C=C/CC(=O)O[C@@]12C3C4N(CC)C[C@]5(COC)[C@H](O)C[C@H](OC)C4([C@@H]4C[C@@](O)(C(OC(=O)c6ccccc6)[C@@H]41)[C@@H](OC)[C@@H]2O)[C@@H]5[C@H]3OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Brachycaudus aconiti Mordv. | Ref. |
| - | - | Brachycaudus napelli Schrk. | Ref. |
|
|
zoom in
| Organism | Brachycaudus aconiti Mordv. |
|---|
| Reference | Liu,J.Nat.Prod.,59,(1996),135 |
|---|
|
