| Name |
Agavasaponin C' |
| Formula |
C50H80O23 |
| Mw |
1048.50903886 |
| CAS RN |
58546-17-1 |
| C_ID |
C00054057
|
| InChIKey |
WJBORTPOEMQYQL-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-39(62)36(59)41(29(15-52)68-45)70-46-40(63)37(60)42(30(16-53)69-46)71-47-43(35(58)34(57)28(14-51)67-47)72-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3 |
| SMILES |
CC12C(CC3C2C(C)C4(OCC(C)CC4)O3)C5CCC6CC(OC7C(O)C(O)C(OC8C(O)C(O)C(OC9OC(CO)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C(CO)O8)C(CO)O7)CCC6(C)C5CC1=O |
| 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) |
|---|
|
