| Name |
TR-Saponin C |
| Formula |
C51H80O21 |
| Mw |
1028.51920962 |
| CAS RN |
288153-06-0 |
| C_ID |
C00037963
, 
|
| InChIKey |
WGIZRSPUJZAKNZ-SWWCXKKCNA-N |
| InChICode |
InChI=1S/C53H80O21/c1-12-23(3)43(64)73-40-41(74-44(65)24(4)13-2)53(22-54)27(20-48(40,6)7)26-14-15-29-49(8)18-17-31(51(10,47(66)67)30(49)16-19-50(29,9)52(26,11)38(61)39(53)69-25(5)55)70-46-35(60)36(34(59)37(72-46)42(62)63)71-45-33(58)32(57)28(56)21-68-45/h12,14,24,27-41,45-46,54,56-61H,13,15-22H2,1-11H3,(H,62,63)(H,66,67)/b23-12-/t24-,27+,28+,29-,30-,31+,32+,33-,34+,35-,36+,37+,38+,39-,40+,41+,45+,46-,49-,50-,51+,52+,53+/m1/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](OC(C)=O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(C(=O)O)[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 var.assamica  | Ref. |
|
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