| Name |
Theasaponin F3
(+)-Theasaponin F3 |
| Formula |
C60H92O28 |
| Mw |
1260.57751236 |
| CAS RN |
878049-15-1 |
| C_ID |
C00032339
, 
|
| InChIKey |
ATBIRQWSFWRRKH-NFEKZARINA-N |
| InChICode |
InChI=1S/C60H92O28/c1-11-24(2)49(76)88-47-46(73)60(23-81-25(3)62)27(18-55(47,4)5)26-12-13-31-56(6)16-15-34(59(9,54(77)78-10)32(56)14-17-57(31,7)58(26,8)19-33(60)65)83-53-45(87-51-40(71)38(69)37(68)30(20-61)82-51)42(41(72)43(85-53)48(74)75)84-52-44(36(67)29(64)22-80-52)86-50-39(70)35(66)28(63)21-79-50/h11-12,27-47,50-53,61,63-73H,13-23H2,1-10H3,(H,74,75)/b24-11-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,50-,51-,52-,53-,56+,57+,58+,59-,60-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[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]7OC[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)(C(=O)OC)[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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