| Name |
Agavasaponin C |
| Formula |
C45H72O19 |
| Mw |
916.46678012 |
| CAS RN |
56316-35-9 |
| C_ID |
C00054056
|
| InChIKey |
KTFHPQODYKNDKE-FYCJIGEFSA-N |
| InChICode |
InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-36(55)33(52)38(27(15-47)60-40)63-42-37(56)34(53)39(28(16-48)61-42)62-41-35(54)32(51)31(50)26(14-46)59-41/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,44-,45-/m1/s1 |
| SMILES |
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Agavaceae | Agave americana  | Ref. |
|
|
zoom in
| Organism | Agave americana |
|---|
| Reference | Aldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 1062B (ir, Ac) |
|---|
|
