| 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 |
N1(CC)C[C@@]2(CC[C@@H]([C@@]34[C@@H]1[C@@H]([C@H]([C@H]23)OC)[C@]1([C@@H]2[C@H]4C[C@]([C@H]([C@@H]1O)OC)([C@@H]2OC(=O)c1ccccc1)O)OC(=O)C)OC)COC |
| 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. |
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