| Name |
Ilexoside XLVI |
| Formula |
C42H66O16 |
| Mw |
826.43508606 |
| CAS RN |
148031-72-5 |
| C_ID |
C00039405
, 
|
| InChIKey |
PVRGMAUCVQOWGZ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C42H66O16/c1-37(2)13-15-42(36(54)58-34-29(49)26(46)25(45)20(17-43)55-34)16-14-40(5)19(24(42)32(37)51)7-8-22-38(3)11-10-23(39(4,18-44)21(38)9-12-41(22,40)6)56-35-30(50)27(47)28(48)31(57-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,34+,35-,38-,39-,40-,41+,42+/m0/s1 |
| SMILES |
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex rotunda  | Ref. |
|
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