| Name |
Contorsine
O2-Acetyl-O3-isobutyrylhetidine |
| Formula |
C27H35NO6 |
| Mw |
469.24643786 |
| CAS RN |
144398-40-3 |
| C_ID |
C00024854
, 
|
| InChIKey |
RKNDSOTXGNOQPZ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C27H35NO6/c1-12(2)24(32)34-23-17(33-14(4)29)10-27-18-7-15-13(3)8-26(18)9-16(30)21(27)25(23,5)11-28(6)22(27)19(26)20(15)31/h12,15,17-19,21-23H,3,7-11H2,1-2,4-6H3/t15-,17-,18+,19+,21+,22+,23+,25-,26+,27+/m0/s1 |
| SMILES |
[C@H]12C(=O)[C@@H]3[C@@H]4[C@]56[C@H](C(=O)C[C@@]3([C@H]6C1)CC2=C)[C@@]([C@@H]([C@H](C5)OC(=O)C)OC(=O)C(C)C)(CN4C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg L-Asp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum contortum | Ref. |
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