| Name |
PRE |
| Formula |
C44H44O24 |
| Mw |
956.22225234 |
| CAS RN |
160564-02-3 |
| C_ID |
C00057122
|
| InChIKey |
ITBPOPSLMGJTQH-OVWVQUKASA-N |
| InChICode |
InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-53,55-58,60-62,65-66H,13-14H2,(H,63,64)/b11-5+,12-6+/t21-,22-,25?,28-,29-,32+,33+,34-,35-,40-,41-,43?,44?/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)cc1)C1=C(O)C(C(C(=O)O)C2=C(O)C(O)([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C(C(=O)/C=C/c3ccc(O)cc3)C2=O)=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Carthamus tinctorius  | Ref. |
|
|
zoom in
| Organism | Carthamus tinctorius |
|---|
| Reference | Kumazawa, T. et al., Chem. Lett., 1994, 2343 (isol, uv, pmr, cmr, ms) |
|---|
|
