| Name |
Orbiculin A |
| Formula |
C33H38O9 |
| Mw |
578.25158281 |
| CAS RN |
227450-73-9 |
| C_ID |
C00046246
, 
|
| InChIKey |
KYEKMLQQOXNBSD-HONXCMILNA-N |
| InChICode |
InChI=1S/C33H38O9/c1-19-17-25(38-20(2)34)28(39-21(3)35)32(6)26(40-29(36)22-13-9-7-10-14-22)18-24-27(33(19,32)42-31(24,4)5)41-30(37)23-15-11-8-12-16-23/h7-16,19,24-28H,17-18H2,1-6H3/t19-,24-,25+,26+,27-,28+,32-,33-/m1/s1 |
| SMILES |
C1[C@H]2C(O[C@@]3([C@]([C@H]1OC(=O)c1ccccc1)([C@H]([C@H](C[C@H]3C)OC(=O)C)OC(=O)C)C)[C@@H]2OC(=O)c1ccccc1)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Celastrus orbiculatus  | Ref. |
|
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