| Name |
Buddlejoside A12 |
| Formula |
C33H42O18 |
| Mw |
726.23711454 |
| CAS RN |
140187-17-3 |
| C_ID |
C00036072
, 
|
| InChIKey |
WIUPWKSKFAXVHN-FNORWQNLNA-N |
| InChICode |
InChI=1S/C33H42O18/c1-13-26(48-20(38)7-5-15-4-6-17(37)18(10-15)43-3)28(46-14(2)36)25(42)32(45-13)49-27-16-8-9-44-30(21(16)33(12-35)29(27)51-33)50-31-24(41)23(40)22(39)19(11-34)47-31/h4-10,13,16,19,21-32,34-35,37,39-42H,11-12H2,1-3H3/b7-5+/t13-,16-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+/m1/s1 |
| SMILES |
[C@@H]1(O[C@H]([C@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)OC(=O)C)O)O[C@H]1[C@H]2[C@@H]([C@]3([C@@H]1O3)CO)[C@@H](OC=C2)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica Hemsl. | Ref. |
|
|
zoom in
| Organism | Buddleja japonica Hemsl. |
|---|
| Reference | Houghton,Phytochem.,64,(2003),485 |
|---|
|
