| Name |
Ilexoside XXXI |
| Formula |
C42H66O15 |
| Mw |
810.44017144 |
| CAS RN |
149475-50-3 |
| C_ID |
C00039407
, 
|
| InChIKey |
FFVRDWTUNZABAZ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C42H66O15/c1-37(2)14-16-42(36(53)57-34-29(48)26(45)25(44)20(18-43)54-34)17-15-40(6)19(24(42)32(37)50)8-9-22-39(5)12-11-23(38(3,4)21(39)10-13-41(22,40)7)55-35-30(49)27(46)28(47)31(56-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21-,22+,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+,34+,35+,39-,40+,41-,42-/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H]([C@H]1O)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)C(=O)O)C)C)C(=O)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex rotunda  | Ref. |
|
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