| Name |
Cucurbitacin I 2-O-beta-D-glucopyranoside |
| Formula |
C36H52O12 |
| Mw |
676.34587713 |
| CAS RN |
29803-94-9 |
| C_ID |
C00030031
, 
|
| InChIKey |
LIIOJBIJVPGVGO-NMKQEYSYNA-N |
| InChICode |
InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1 |
| SMILES |
C12=CC[C@@H]3[C@]([C@@H]1C=C(C(=O)C2(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@@](C(=O)/C=C/C(C)(C)O)(C)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Citrullus colocynthis (L.)  | Ref. |
|
|
zoom in
| Organism | Citrullus colocynthis (L.) |
|---|
| Reference | Yoshikawa,Chem.Pharm.Bull.,55,(2007),428 |
|---|
|
