| Name |
15-Deacetylvakognavine |
| Formula |
C32H35NO9 |
| Mw |
577.23118172 |
| CAS RN |
116085-13-3 |
| C_ID |
C00024817
, 
|
| InChIKey |
XGTHSIJNFVPCTN-CAWRRWMVNA-N |
| InChICode |
InChI=1S/C32H35NO9/c1-14-20-22(37)21-26-32-24(18(33(26)5)11-31(21,27(14)38)25(32)23(20)40-15(2)35)30(4,13-34)12-19(28(32)41-16(3)36)42-29(39)17-9-7-6-8-10-17/h6-10,13,18-21,23-28,38H,1,11-12H2,2-5H3/t18-,19-,20-,21+,23-,24+,25+,26+,27+,28+,30-,31+,32+/m0/s1 |
| SMILES |
C=C1[C@H]2C(=O)[C@@H]3C4N(C)[C@H]5CC3([C@@H]1O)[C@@H]([C@@H]2OC(C)=O)[C@@]41[C@H](OC(C)=O)C(OC(=O)c2ccccc2)C[C@@](C)(C=O)[C@@H]51 |
| Start Substs in Alk. Biosynthesis (Prediction) |
Secologanin L-Phe |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum palmatum  | Ref. |
|
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