| Name |
Asprelloside I |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
2377393-68-3 |
| C_ID |
C00052845
|
| InChIKey |
JJCKSKWMDLKVCS-UMGCOJPGSA-N |
| InChICode |
InChI=1S/C47H76O17/c1-21-10-15-47(42(58)64-41-38(57)35(54)33(52)26(62-41)20-60-39-37(56)34(53)32(51)25(18-48)61-39)17-16-45(6)23(30(47)22(21)2)8-9-28-44(5)13-12-29(43(3,4)27(44)11-14-46(28,45)7)63-40-36(55)31(50)24(49)19-59-40/h10,22-41,48-57H,8-9,11-20H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,39-,40+,41+,44+,45-,46-,47+/m1/s1 |
| SMILES |
CC1=CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex asprella | Ref. |
|
|
zoom in
| Organism | Ilex asprella |
|---|
| Reference | Huang, X-J., et al., Chem. Biodiv., 16, (2019), e1900202. |
|---|
|
