| Name |
Agamenoside E |
| Formula |
C56H90O27 |
| Mw |
1194.56694767 |
| CAS RN |
619300-64-0 |
| C_ID |
C00054055
|
| InChIKey |
MOURACYJJDSTSZ-LRIOXLTCSA-N |
| InChICode |
InChI=1S/C56H90O27/c1-20-8-11-56(73-18-20)21(2)34-29(83-56)13-27-25-7-6-23-12-24(9-10-54(23,4)26(25)14-33(61)55(27,34)5)75-51-43(70)40(67)45(32(17-59)78-51)79-53-48(47(38(65)31(16-58)77-53)81-49-41(68)36(63)28(60)19-72-49)82-52-44(71)46(37(64)30(15-57)76-52)80-50-42(69)39(66)35(62)22(3)74-50/h20-32,34-53,57-60,62-71H,6-19H2,1-5H3/t20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49+,50+,51-,52+,53+,54+,55-,56-/m1/s1 |
| SMILES |
C[C@@]12[C@](C[C@@](O[C@@]3(OC[C@H](C)CC3)[C@H]4C)([H])[C@@]24[H])([H])[C@]5([H])CC[C@@]6([H])C[C@@H](O[C@]7([H])O[C@H](CO)[C@H](O[C@@]8([H])[C@H](O[C@@]9([H])[C@H](O)[C@@H](O[C@]%10([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@H](O)[C@@H](CO)O9)[C@@H](O[C@@]%11([H])[C@H](O)[C@@H](O)[C@H](O)CO%11)[C@H](O)[C@@H](CO)O8)[C@H](O)[C@H]7O)CC[C@]6(C)[C@@]5([H])CC1=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) |
|---|
|
