| Name |
Phytolaccasaponin N5 |
| Formula |
C54H86O25 |
| Mw |
1134.5458183 |
| CAS RN |
1002337-07-6 |
| C_ID |
C00056795
|
| InChIKey |
FYUHPQSPQGONJB-XPGWIHTLSA-N |
| InChICode |
InChI=1S/C54H86O25/c1-49(47(69)71-6)13-15-54(48(70)79-45-41(68)38(65)34(61)27(20-57)75-45)16-14-52(4)23(24(54)17-49)7-8-30-50(2)11-10-31(51(3,22-58)29(50)9-12-53(30,52)5)77-46-42(78-44-40(67)37(64)33(60)26(19-56)74-44)35(62)28(21-72-46)76-43-39(66)36(63)32(59)25(18-55)73-43/h7,24-46,55-68H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44?,45-,46-,49-,50-,51-,52+,53+,54-/m0/s1 |
| SMILES |
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca americana  | Ref. |
|
|
zoom in
| Organism | Phytolacca americana |
|---|
| Reference | Johnson, A. et al., Tetrahedron, 1974, 30, 2033-2036 (Phytolaccinic acid) |
|---|
|
