| 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 |
C1(=C[C@@H]2C(=C[C@H]([C@@H]3[C@]2(C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C)(O)C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)O)C(C1=O)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Citrullus colocynthis (L.)  | Ref. |
|
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