| Name |
54-Deoxyciguatoxin |
| Formula |
C60H86O18 |
| Mw |
1094.58141594 |
| CAS RN |
139341-09-6 |
| C_ID |
C00055235
|
| InChIKey |
RWSYPPRKMNWNII-JECWBDJGSA-N |
| InChICode |
InChI=1S/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14+/t29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1 |
| SMILES |
C[C@@H]1C[C@@H]2O[C@@H]3[C@@H](C)[C@H](O)[C@@H]4O[C@]5(CCCO5)[C@@H](C)[C@H](C)[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C/C=CC[C@H]5O[C@H]6C=C[C@H]7O[C@H]8[C@H](O)[C@H]9O[C@@H](/C=C/[C@H](O)CO)C=CC[C@@H]9O[C@@H]8C[C@@H]7O[C@@H]6C=C[C@@H]5O[C@@H]4C[C@@H](O)[C@]3(C)O[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Gymnothorax javanicus  | Ref. |
| - | - | Lycodontis javanicus | Ref. |
|
|
zoom in
| Organism | Lycodontis javanicus |
|---|
| Reference | Scheuer, P.J.Bioact. Mol., 1989, 10, 265 (occur) |
|---|
|
