| Name |
Colocynthoside A
(-)-Colocynthoside A |
| Formula |
C38H54O14 |
| Mw |
734.35135643 |
| CAS RN |
903588-40-9 |
| C_ID |
C00030001
, 
|
| InChIKey |
VJTYFWONTVLZJR-RWUHKRPVNA-N |
| InChICode |
InChI=1S/C38H54O14/c1-17(40)52-33(2,3)11-10-24(43)38(9,49)30-21(42)14-35(6)29-20(41)12-18-19(37(29,8)25(44)15-36(30,35)7)13-22(31(48)34(18,4)5)50-32-28(47)27(46)26(45)23(16-39)51-32/h10-13,19-21,23,26-30,32,39,41-42,45-47,49H,14-16H2,1-9H3/b11-10+/t19-,20-,21-,23-,26-,27+,28-,29+,30+,32-,35+,36-,37-,38-/m1/s1 |
| SMILES |
CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Citrullus colocynthis (L.)  | Ref. |
|
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