| Name |
Agavasaponin H |
| Formula |
C68H112O37 |
| Mw |
1520.6882446 |
| CAS RN |
58546-21-7 |
| C_ID |
C00054060
|
| InChIKey |
IMDVEXVWVKJLBU-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C68H112O37/c1-22(20-91-59-49(85)44(80)41(77)33(16-69)96-59)9-12-68(90)23(2)38-32(105-68)14-30-28-8-7-26-13-27(10-11-66(26,5)29(28)15-37(74)67(30,38)6)95-63-52(88)46(82)55(35(18-71)98-63)101-64-53(89)47(83)56(36(19-72)99-64)102-65-58(104-60-48(84)40(76)31(73)21-92-60)57(42(78)34(17-70)97-65)103-62-51(87)45(81)54(25(4)94-62)100-61-50(86)43(79)39(75)24(3)93-61/h22-36,38-65,69-73,75-90H,7-21H2,1-6H3 |
| SMILES |
CC12C(CC3C2C(C)C(CCC(C)COC4C(O)C(O)C(O)C(CO)O4)(O)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) |
|---|
|
