| Name |
Tuberoside F |
| Formula |
C52H86O23 |
| Mw |
1078.55598906 |
| CAS RN |
332843-47-7 |
| C_ID |
C00058088
|
| InChIKey |
WUEKEPWPDVRLTE-JAEHHQGBSA-N |
| InChICode |
InChI=1S/C52H86O23/c1-20(19-67-46-39(62)38(61)35(58)30(17-53)72-46)8-11-32-52(6,66-7)45-29(70-32)15-26-24-10-9-23-14-28(27(55)16-51(23,5)25(24)12-13-50(26,45)4)71-49-44(75-48-41(64)37(60)34(57)22(3)69-48)42(65)43(31(18-54)73-49)74-47-40(63)36(59)33(56)21(2)68-47/h11,20-31,33-49,53-65H,8-10,12-19H2,1-7H3/b32-11-/t20-,21-,22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45-,46+,47-,48-,49+,50-,51-,52+/m0/s1 |
| SMILES |
CO[C@]1(C)/C(=C/C[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium tuberosum  | Ref. |
|
|
zoom in
| Organism | Allium tuberosum |
|---|
| Reference | Sang, S. et al., J. Agric. Food Chem., 2001, 49, 1475-1478 (isol, pmr, cmr) |
|---|
|
