| Name |
Agavasaponin E |
| Formula |
C62H100O31 |
| Mw |
1340.62485648 |
| CAS RN |
58546-19-3 |
| C_ID |
C00054059
|
| InChIKey |
HYUWBRLXQLHDHD-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C62H100O31/c1-21-9-12-62(81-19-21)22(2)36-31(93-62)14-29-27-8-7-25-13-26(10-11-60(25,5)28(27)15-35(67)61(29,36)6)84-57-47(78)42(73)50(33(17-64)86-57)89-58-48(79)43(74)51(34(18-65)87-58)90-59-53(92-54-44(75)38(69)30(66)20-80-54)52(39(70)32(16-63)85-59)91-56-46(77)41(72)49(24(4)83-56)88-55-45(76)40(71)37(68)23(3)82-55/h21-34,36-59,63-66,68-79H,7-20H2,1-6H3 |
| 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(OC%10OC(C)C(OC%11OC(C)C(O)C(O)C%11O)C(O)C%10O)C9OC%12OCC(O)C(O)C%12O)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) |
|---|
|
