| Name |
16-epi-Pyromesaconitine |
| Formula |
C31H41NO9 |
| Mw |
571.27813192 |
| CAS RN |
123827-18-9 |
| C_ID |
C00029407
, 
|
| InChIKey |
HUBXRRHLHLNGHA-FSZLNBPXNA-N |
| InChICode |
InChI=1S/C31H41NO9/c1-32-13-29(14-37-2)17(33)11-18(38-3)31-16-12-30(36)26(41-28(35)15-9-7-6-8-10-15)19(16)20(22(34)27(30)40-5)21(25(31)32)23(39-4)24(29)31/h6-10,16-21,23-27,33,36H,11-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,23+,24+,25+,26+,27-,29-,30-,31-/m1/s1 |
| SMILES |
COC[C@@]12CN(C)C3C4[C@H]5C(=O)[C@@H](OC)[C@@]6(O)C[C@H]([C@@H]5[C@H]6OC(=O)c5ccccc5)C3([C@@H](OC)C[C@H]1O)[C@@H]2[C@H]4OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum manshuricum | Ref. |
|
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