| Name |
Theaflavanoside IV |
| Formula |
C38H50O23 |
| Mw |
874.27428791 |
| CAS RN |
943785-11-3 |
| C_ID |
C00058279
|
| InChIKey |
ACOHLNQHKFHTDV-RLVVTOTISA-N |
| InChICode |
InChI=1S/C38H50O23/c1-12-24(44)29(49)33(60-36-32(52)28(48)26(46)21(9-39)58-36)37(55-12)61-34-30(50)27(47)22(11-54-35-31(51)25(45)18(43)10-53-35)59-38(34)56-15-6-16(41)23-17(42)8-19(57-20(23)7-15)13-2-4-14(40)5-3-13/h2-7,12,18-19,21-22,24-41,43-52H,8-11H2,1H3/t12-,18+,19-,21+,22+,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis |
|---|
| Reference | Aldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 94D (ir) |
|---|
|
