| Name |
Buddlejasaponin IV |
| Formula |
C48H78O18 |
| Mw |
942.51881569 |
| CAS RN |
139523-30-1 |
| C_ID |
C00036068
, 
|
| InChIKey |
IRJDRINEGANBIK-XMNGJFPFNA-N |
| InChICode |
InChI=1S/C48H78O18/c1-22-30(53)37(65-39-35(58)33(56)31(54)23(18-49)62-39)38(66-40-36(59)34(57)32(55)24(19-50)63-40)41(61-22)64-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-60-48)28(52)17-46(45,48)7/h9,13,22-41,49-59H,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+,41+,43+,44+,45-,46+,47-,48?/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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)OC3)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum | Ref. |
| Plantae | Buddlejaceae | Buddleja japonica | Ref. |
|
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