| Name |
Kaikasaponin III methyl ester |
| Formula |
C49H80O17 |
| Mw |
940.53955113 |
| CAS RN |
117230-29-2 |
| C_ID |
C00051118
|
| InChIKey |
NHDKIPQKDJYLTG-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C49H80O17/c1-22-30(52)32(54)36(58)41(61-22)65-38-33(55)31(53)25(21-50)62-42(38)66-39-35(57)34(56)37(40(59)60-10)64-43(39)63-29-14-15-47(7)26(45(29,4)5)13-16-49(9)27(47)12-11-23-24-19-44(2,3)20-28(51)46(24,6)17-18-48(23,49)8/h11,22,24-39,41-43,50-58H,12-21H2,1-10H3 |
| SMILES |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Abrus precatorius  | Ref. |
|
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