| Name |
Theasaponin A4
(+)-Theasaponin A4 |
| Formula |
C58H92O27 |
| Mw |
1220.58259774 |
| CAS RN |
929877-77-0 |
| C_ID |
C00032324
, 
|
| InChIKey |
YWSPRVMUBCFKGO-APVQHWQQNA-N |
| InChICode |
InChI=1S/C58H92O27/c1-9-23(2)48(76)85-46-45(73)58(22-62)25(16-53(46,3)4)24-10-11-30-54(5)14-13-32(55(6,21-61)29(54)12-15-56(30,7)57(24,8)17-31(58)64)80-52-44(84-50-39(71)37(69)35(67)28(19-60)79-50)41(40(72)42(82-52)47(74)75)81-51-43(33(65)26(63)20-77-51)83-49-38(70)36(68)34(66)27(18-59)78-49/h9-10,25-46,49-52,59-73H,11-22H2,1-8H3,(H,74,75)/b23-9-/t25-,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-,54-,55-,56+,57+,58-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)C7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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