| 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 |
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica | Ref. |
| Plantae | Scrophulariaceae | Scrophularia cryptophila | Ref. |
| Plantae | Scrophulariaceae | Scrophularia kakudensis | Ref. |
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