| Name |
Cassinine |
| Formula |
C44H51NO17 |
| Mw |
865.31569921 |
| CAS RN |
62948-58-7 |
| C_ID |
C00001966
, 
|
| InChIKey |
DSIMUNJDGBYLQE-GUDTZNBYNA-N |
| InChICode |
InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(61-40(52)29-14-11-10-12-15-29)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(58-26(6)49)43(44,21-54-23(3)46)39(59-27(7)50)36(34)57-25(5)48/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3/t22-,28-,32-,34-,35-,36+,37-,38-,39+,42+,43-,44-/m1/s1 |
| SMILES |
[C@@H]1([C@H]2[C@H]([C@]34[C@@]([C@H]1OC(=O)C)([C@@H]([C@@H]([C@H]([C@H]3OC(=O)c1ccccc1)[C@](O4)(C)COC(=O)c1c([C@@H](CCC(=O)O2)CC)nccc1)OC(=O)C)OC(=O)C)COC(=O)C)C)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Arg |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Cassine matabelica | Ref. |
| Plantae | Celastraceae | Cassine metabelica | Ref. |
|
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