| Name |
Congmunoside XIII |
| Formula |
C71H116O37 |
| Mw |
1560.71954473 |
| CAS RN |
329969-12-2 |
| C_ID |
C00054783
|
| InChIKey |
BIHRHVZSOZTEPC-AWNRXXJISA-N |
| InChICode |
InChI=1S/C71H116O37/c1-66(2)14-16-71(65(94)108-62-53(92)48(87)42(81)34(103-62)25-97-59-50(89)45(84)39(78)30(20-73)99-59)17-15-69(6)26(27(71)18-66)8-9-36-68(5)12-11-37(67(3,4)35(68)10-13-70(36,69)7)104-64-57(107-61-52(91)47(86)41(80)33(102-61)24-96-58-49(88)44(83)38(77)29(19-72)98-58)55(28(76)23-95-64)105-63-54(93)56(43(82)32(22-75)101-63)106-60-51(90)46(85)40(79)31(21-74)100-60/h8,27-64,72-93H,9-25H2,1-7H3/t27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,68-,69+,70+,71-/m0/s1 |
| SMILES |
C[C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](O)[C@@H]6O)O[C@@H]6CO)[C@H]5O)[C@H]4O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]3(C)[C@@]1([H])CC=C9[C@]%10([H])CC(C)(C)CC[C@]%10(C(O[C@H]%11[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)O%11)=O)CC[C@]92C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Aralia elata  | Ref. |
|
|
zoom in
| Organism | Aralia elata |
|---|
| Reference | Kochetkov, N.K. et al., Izv. Akad. Nauk SSSR, Ser. Khim., 1963, 1398 (Aralosides) |
|---|
|
