| Name |
Deoxyjesaconitine |
| Formula |
C35H49NO11 |
| Mw |
659.33056142 |
| CAS RN |
69787-27-5 |
| C_ID |
C00038990
, 
|
| InChIKey |
FCLBIQAIAWTNDU-FKIFVIOVNA-N |
| InChICode |
InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)14-13-22(43-5)34-21-15-33(40)29(46-31(39)19-9-11-20(42-4)12-10-19)23(21)35(47-18(2)37,28(38)30(33)45-7)24(27(34)36)25(44-6)26(32)34/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22+,23-,24-,25-,26-,27+,28+,29-,30+,32+,33-,34-,35+/m1/s1 |
| SMILES |
[C@H]12[C@@H]3N(C[C@]4([C@H]([C@@]3([C@@H]3C[C@@]5([C@H]([C@@H]([C@@]2([C@H]3[C@H]5OC(=O)c2ccc(cc2)OC)OC(=O)C)O)OC)O)[C@H](CC4)OC)[C@@H]1OC)COC)CC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum japonicum | Ref. |
| Plantae | Ranunculaceae | Aconitum subcuneatum Nakai | Ref. |
|
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