| Name |
Bacopasaponin A |
| Formula |
C40H64O12 |
| Mw |
736.43977751 |
| CAS RN |
178064-11-4 |
| C_ID |
C00029767
, 
|
| InChIKey |
AGYKYCQDUUPCBZ-CWKPWMJXNA-N |
| InChICode |
InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,52-34-31(46)29(44)24(42)17-48-34)32-22-8-9-26-36(5)12-11-27(50-33-30(45)28(43)23(41)16-47-33)35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,51-21)49-19-39/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,36-,37+,38-,39-,40-/m0/s1 |
| SMILES |
CC(C)=C[C@H]1C[C@](C)(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Bacopa monnieri  | Ref. |
|
|
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