| Name |
Deoxyaconitine
3-Deoxyaconitine |
| Formula |
C34H47NO10 |
| Mw |
629.31999673 |
| CAS RN |
3175-95-9 |
| C_ID |
C00027743
, 
|
| InChIKey |
PHASMOUKYDUAOZ-PSOZKWFMNA-N |
| InChICode |
InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23-,24-,25?,26+,27+,28-,29+,31+,32-,33-,34+/m1/s1 |
| SMILES |
CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@]1(OC(C)=O)[C@@H]2[C@H]4C[C@@](O)([C@@H]2OC(=O)c2ccccc2)[C@@H](OC)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum japonicum | Ref. |
| Plantae | Ranunculaceae | Aconitum karakolicum Rap. | Ref. |
| Plantae | Ranunculaceae | Aconitum kusnezoffii Reichb.  | Ref. |
| Plantae | Ranunculaceae | Aconitum nagarum var.heterotrichum | Ref. |
| Plantae | Ranunculaceae | Aconitum pseudostapfinum W.T.Wang | Ref. |
|
|
zoom in
| Organism | Aconitum japonicum |
|---|
| Reference | Wada,J.Nat.Prod.,70,(2007),1854 |
|---|
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