| Name |
Orbiculin E
(+)-Orbiculin E |
| Formula |
C31H36O10 |
| Mw |
568.23084737 |
| CAS RN |
227450-69-3 |
| C_ID |
C00046248
, 
|
| InChIKey |
GAOKKLOHOKIMQT-HAYIALMWNA-N |
| InChICode |
InChI=1S/C31H36O10/c1-17-14-23(37-18(2)32)26(38-19(3)33)30(6)24(39-27(34)20-10-8-7-9-11-20)15-22-25(31(17,30)41-29(22,4)5)40-28(35)21-12-13-36-16-21/h7-13,16-17,22-26H,14-15H2,1-6H3/t17-,22-,23+,24+,25+,26+,30-,31-/m1/s1 |
| SMILES |
CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)C3OC(=O)c1ccoc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Celastrus orbiculatus  | Ref. |
|
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