| Name |
Javanicoside E |
| Formula |
C36H50O18 |
| Mw |
770.2997148 |
| CAS RN |
713503-95-8 |
| C_ID |
C00051033
|
| InChIKey |
RNORYGZHCHYTFY-CJLCAMBENA-N |
| InChICode |
InChI=1S/C36H50O18/c1-13(33(4,5)54-15(3)38)8-20(39)53-26-28-35-12-49-36(28,32(47)48-7)29(45)25(44)27(35)34(6)10-17(21(40)14(2)16(34)9-19(35)52-30(26)46)50-31-24(43)23(42)22(41)18(11-37)51-31/h10,13-14,16,18-19,22-29,31,37,41-45H,8-9,11-12H2,1-7H3/t13?,14-,16-,18+,19+,22+,23-,24+,25+,26+,27+,28+,29-,31+,34-,35+,36-/m0/s1 |
| SMILES |
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)CC(C)C(C)(C)OC(C)=O)[C@@H]24 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Simaroubaceae | Brucea javanica  | Ref. |
|
|
zoom in
| Organism | Brucea javanica |
|---|
| Reference | Kim, et al., Journal of Natural Products, 67, (2004), 863 |
|---|
|
