| Name |
Theasaponin E10 |
| Formula |
C61H94O28 |
| Mw |
1274.59316242 |
| CAS RN |
906325-03-9 |
| C_ID |
C00058258
|
| InChIKey |
DHFXNNAECYNJCO-GBCWFPNASA-N |
| InChICode |
InChI=1S/C61H94O28/c1-25(2)17-37(69)85-49-50(82-27(4)66)61(24-64)29(18-56(49,5)6)28-11-12-34-57(7)15-14-35(58(8,23-63)33(57)13-16-59(34,9)60(28,10)19-36(61)81-26(3)65)84-55-48(89-53-43(75)41(73)40(72)32(20-62)83-53)45(44(76)46(87-55)51(77)78)86-54-47(39(71)31(68)22-80-54)88-52-42(74)38(70)30(67)21-79-52/h11,23,25,29-36,38-50,52-55,62,64,67-68,70-76H,12-22,24H2,1-10H3,(H,77,78)/t29-,30+,31-,32+,33+,34+,35-,36+,38-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48+,49-,50-,52-,53-,54-,55+,57-,58-,59+,60+,61-/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@](C)(C=O)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)[C@@H](OC(=O)CC(C)C)[C@H](OC(C)=O)[C@]12CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis |
|---|
| Reference | Yoshioka, I. et al., Tet. Lett., 1966, 5979-5984 (Theasapogenol A) |
|---|
|
