| Name |
Japondipsaponin E1 |
| Formula |
C59H96O26 |
| Mw |
1220.61898324 |
| CAS RN |
175586-66-0 |
| C_ID |
C00051022
|
| InChIKey |
PBZLWDJLELZIJE-FAGWOODBNA-N |
| InChICode |
InChI=1S/C59H96O26/c1-24-34(64)39(69)41(71)48(77-24)83-46-38(68)30(21-61)80-51(44(46)74)82-45-35(65)25(2)78-50(43(45)73)84-47-36(66)28(63)22-76-52(47)81-33-12-13-55(5)31(56(33,6)23-62)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,18-16-57(26,58)7)53(75)85-49-42(72)40(70)37(67)29(20-60)79-49/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46-,47+,48-,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)[C@@H]6CC=C6[C@@H]8CC(C)(C)CC[C@]8(C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)CC[C@]67C)[C@]5(C)CO)OC[C@H](O)[C@@H]4O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae | Dipsacus japonicus | Ref. |
|
|
zoom in
| Organism | Dipsacus japonicus |
|---|
| Reference | Wui, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 30, (1995), 831 |
|---|
|
