| Name |
Aconifine |
| Formula |
C34H47NO12 |
| Mw |
661.30982597 |
| CAS RN |
41849-35-8 |
| C_ID |
C00001610
, 
|
| InChIKey |
GMSKTJVHWUUOMY-WFVKRDJYNA-N |
| InChICode |
InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22-,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1 |
| SMILES |
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@]24O)[C@@H](OC)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum karakolicum | Ref. |
| Plantae | Ranunculaceae | Aconitum nagarum | Ref. |
|
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