| Name |
Theasaponin H1
(+)-Theasaponin H1 |
| Formula |
C58H90O26 |
| Mw |
1202.57203305 |
| CAS RN |
929877-82-7 |
| C_ID |
C00032341
, 
|
| InChIKey |
WJYSPUWSERPACT-KHXRIWHUNA-N |
| InChICode |
InChI=1S/C58H90O26/c1-10-24(2)47(73)79-34-19-53(3,4)17-26-25-11-12-30-54(5)15-14-33(57(8,52(74)75-9)31(54)13-16-55(30,6)56(25,7)18-32(63)58(26,34)23-60)80-51-45(84-49-40(69)38(67)37(66)29(20-59)78-49)42(41(70)43(82-51)46(71)72)81-50-44(36(65)28(62)22-77-50)83-48-39(68)35(64)27(61)21-76-48/h10-11,26-45,48-51,59-70H,12-23H2,1-9H3,(H,71,72)/b24-10-/t26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42-,43-,44+,45+,48-,49-,50-,51-,54+,55+,56+,57-,58-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=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@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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