| Name |
Matesaponin 5 |
| Formula |
C65H106O31 |
| Mw |
1382.67180667 |
| CAS RN |
178330-60-4 |
| C_ID |
C00051507
|
| InChIKey |
KQIHCENNAZOODK-LTEKOFQMNA-N |
| InChICode |
InChI=1S/C65H106O31/c1-24-11-16-65(60(84)96-58-49(82)44(77)40(73)32(91-58)23-86-54-50(83)45(78)52(31(21-68)90-54)94-57-48(81)43(76)39(72)30(20-67)89-57)18-17-63(7)27(36(65)25(24)2)9-10-34-62(6)14-13-35(61(4,5)33(62)12-15-64(34,63)8)92-59-53(95-55-46(79)41(74)37(70)26(3)87-55)51(28(69)22-85-59)93-56-47(80)42(75)38(71)29(19-66)88-56/h9,24-26,28-59,66-83H,10-23H2,1-8H3/t24-,25+,26+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,62+,63-,64-,65+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex paraguariensis  | Ref. |
|
|
zoom in
| Organism | Ilex paraguariensis |
|---|
| Reference | Xie, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 85 |
|---|
|
