| Name |
Asprelloside J |
| Formula |
C36H56O13S |
| Mw |
728.34416261 |
| CAS RN |
2377393-70-7 |
| C_ID |
C00052846
|
| InChIKey |
HVUXLYPQUDLVHF-RHNOZWNASA-N |
| InChICode |
InChI=1S/C36H56O13S/c1-31(2)14-16-36(30(42)43)17-15-34(6)21(35(36,7)29(31)41)10-9-20-18-8-11-22(32(3,4)19(18)12-13-33(20,34)5)47-28-24(38)25(49-50(44,45)46)23(37)26(48-28)27(39)40/h10,18-20,22-26,28-29,37-38,41H,8-9,11-17H2,1-7H3,(H,39,40)(H,42,43)(H,44,45,46)/t18-,19+,20+,22-,23-,24+,25-,26-,28+,29+,33+,34+,35+,36+/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@H]5CC[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@]43C)[C@]2(C)[C@@H]1O |
| 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. |
|---|
|
