| Name |
Ilexsaponin B2 |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
108906-69-0 |
| C_ID |
C00053340
|
| InChIKey |
KWHRIYSRPSARCX-KKCAVKGBSA-N |
| InChICode |
InChI=1S/C47H76O17/c1-21-11-16-47(41(56)57)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-39-35(30(51)24(49)20-59-39)64-40-36(33(54)31(52)25(19-48)61-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-55,58H,10-20H2,1-8H3,(H,56,57)/t21-,22-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38?,39-,40-,43-,44+,45+,46+,47-/m0/s1 |
| SMILES |
C[C@@H]1OC(O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC=C7[C@H]8[C@](C(=O)O)(CC[C@H](C)[C@@]8(C)O)CC[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)OC[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex asprella | Ref. |
| Plantae | Aquifoliaceae | Ilex pubescens  | Ref. |
|
|
zoom in
| Organism | Ilex pubescens |
|---|
| Reference | Wen, L. et al., Front. Plant Sci., 8, (2017), 634. |
|---|
|
