| Name |
Nigellamine A4 |
| Formula |
C36H44N2O7 |
| Mw |
616.31485177 |
| CAS RN |
745067-05-4 |
| C_ID |
C00057531
|
| InChIKey |
JZFHYGAGQUMBJU-FHZWNXKMSA-N |
| InChICode |
InChI=1S/C36H44N2O7/c1-6-9-31(39)42-22-36-15-14-27(23(2)3)32(36)28(43-33(40)25-10-7-16-37-20-25)19-35(5)29(45-35)13-12-24(4)18-30(36)44-34(41)26-11-8-17-38-21-26/h7-8,10-11,16-18,20-21,28-30,32H,6,9,12-15,19,22H2,1-5H3/b24-18+/t28-,29-,30+,32-,35+,36+/m1/s1 |
| SMILES |
CCCC(=O)OC[C@]12CCC(=C(C)C)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)c1cccnc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Nigella sativa  | Ref. |
|
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