| Name |
Nigellamine A5 |
| Formula |
C40H44N2O7 |
| Mw |
664.31485177 |
| CAS RN |
745067-06-5 |
| C_ID |
C00057532
|
| InChIKey |
ISDXMFLGMQJRBT-YOJNSCNXSA-N |
| InChICode |
InChI=1S/C40H44N2O7/c1-26(2)31-16-17-40(25-46-35(43)21-28-10-6-5-7-11-28)34(48-38(45)30-13-9-19-42-24-30)20-27(3)14-15-33-39(4,49-33)22-32(36(31)40)47-37(44)29-12-8-18-41-23-29/h5-13,18-20,23-24,32-34,36H,14-17,21-22,25H2,1-4H3/b27-20+/t32-,33-,34+,36-,39+,40+/m1/s1 |
| SMILES |
CC(C)=C1CC[C@]2(COC(=O)Cc3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(C)CC[C@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Nigella sativa  | Ref. |
|
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