| 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]1CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](OC8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)CO6)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])[C@]1(C)O |
| 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 asprella |
|---|
| Reference | Wen, L. et al., Front. Plant Sci., 8, (2017), 634. |
|---|
|
