| Name |
Buddlejasaponin III |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
139523-29-8 |
| C_ID |
C00036067
, 
|
| InChIKey |
VPAUQBZVUAZUKS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C47H76O17/c1-22-30(52)37(64-39-34(56)32(54)36(24(18-48)61-39)63-38-33(55)31(53)23(50)19-58-38)35(57)40(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,8,10-12,14-21H2,1-7H3/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,42-,43+,44+,45-,46+,47-/m1/s1 |
| SMILES |
C1[C@@H]2[C@@]3(CCC1(C)C)[C@@H](C[C@]1([C@]2(C=C[C@@H]2[C@@]1(CC[C@@H]1[C@]2(CC[C@H]([C@]1(CO)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)CO)O)C)C)C)OC3)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica | Ref. |
|
|
zoom in
|
