| Name |
Calebassine |
| Formula |
C40H48N4O2 |
| Mw |
616.37772681 |
| CAS RN |
7257-29-6 |
| C_ID |
C00001697
, 
|
| InChIKey |
HVWCEUHZKLPKRE-QRWGFFMGNA-N |
| InChICode |
InChI=1S/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2/b23-5-,24-6-/t25-,26-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,43-,44-/m0/s1 |
| SMILES |
C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N5[C@H]6[C@@H]([C@@H]([C@H]1C[C@@H]32)[C@]54O)N1c2ccccc2[C@]23CC[N@@+]4(C)C/C(=C/C)[C@H](C[C@@H]24)[C@H]6[C@]13O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Longaniaceae | Strychnos divaricans | Ref. |
| Plantae | Longaniaceae | Strychnos mittschelichii | Ref. |
| Plantae | Longaniaceae | Strychnos solimoensana | Ref. |
| Plantae | Longaniaceae | Strychnos toxifera Schomb.  | Ref. |
| Plantae | Longaniaceae | Strychnos trivervis | Ref. |
|
|
zoom in
| Organism | Strychnos toxifera Schomb. |
|---|
| Reference | Meyer,Helv.Chim.Acta,39,(1956),1214
Karrer,Angew.Chem.,70,(1958),644
Battersby,J.Chem.Soc.,(1964),4419 |
|---|
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