| Name |
Aconitine |
| Formula |
C34H47NO11 |
| Mw |
645.31491135 |
| CAS RN |
302-27-2 |
| C_ID |
C00001611
, 
|
| InChIKey |
XFSBVAOIAHNAPC-VJCAGOBQNA-N |
| InChICode |
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,31+,32-,33+,34+/m1/s1 |
| SMILES |
C([C@]12[C@@H]3[C@@]4([C@H](C[C@H]1O)OC)[C@H]1[C@H]5[C@]([C@@H]([C@H]3OC)[C@H]4N(C2)CC)([C@H]([C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)O)OC(=O)C)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum altaicum | Ref. |
| Plantae | Ranunculaceae | Aconitum balfourii Stapf. | Ref. |
| Plantae | Ranunculaceae | Aconitum carmichaeli Debx  | Ref. |
| Plantae | Ranunculaceae | Aconitum karacolicum | Ref. |
| Plantae | Ranunculaceae | Aconitum karakolicum Rap. | Ref. |
| Plantae | Ranunculaceae | Aconitum kusnezoffii Reichb. | Ref. |
| Plantae | Ranunculaceae | Aconitum manshuricum | Ref. |
| Plantae | Ranunculaceae | Aconitum nagarum var.heterotrichum | Ref. |
| Plantae | Ranunculaceae | Aconitum napellus | Ref. |
| Plantae | Ranunculaceae | Aconitum pseudostapfinum W.T.Wang | Ref. |
| Plantae | Ranunculaceae | Aconitum soongoricum | Ref. |
|
|
zoom in
| Organism | Aconitum carmichaeli Debx |
|---|
| Reference | Wang,Chin.Pharm.J.,31,(1996),74 |
|---|
|
