| Name |
Asprelloside F |
| Formula |
C42H64O17S |
| Mw |
872.38642135 |
| CAS RN |
2377393-63-8 |
| C_ID |
C00052842
|
| InChIKey |
NRNJICFWQGVYMN-NEIUEIHFSA-N |
| InChICode |
InChI=1S/C42H64O17S/c1-19-10-15-42(37(51)58-35-29(46)28(45)27(44)22(18-43)55-35)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)56-36-31(48)32(59-60(52,53)54)30(47)33(57-36)34(49)50/h8,19,22-25,27-33,35-36,43-48H,9-18H2,1-7H3,(H,49,50)(H,52,53,54)/t19-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32-,33-,35-,36+,39-,40+,41+,42-/m0/s1 |
| SMILES |
CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[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. |
|---|
|
