| Name |
Gambieric acid A |
| Formula |
C59H92O16 |
| Mw |
1056.63853689 |
| CAS RN |
138434-64-7 |
| C_ID |
C00016806
, 
|
| InChIKey |
MSZMCMVREIGRAG-SPRMGCCBNA-N |
| InChICode |
InChI=1S/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32+,34-,35+,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,46-,47-,48-,49+,50+,52+,53+,54+,55+,56+,57+,58-,59-/m1/s1 |
| SMILES |
C=C1C[C@H]2O[C@@H]3[C@@H](C[C@]2(C)O[C@@H]1C/C(C)=C/[C@@H](C)CO)O[C@H]1C[C@H]2O[C@H]4CC[C@H]5O[C@H]6C[C@H]7O[C@@H](C[C@H](O)C[C@@H]8C[C@@H](C)[C@@H]([C@@H](C)CC(=O)O)O8)[C@H](O)CC[C@@H]7O[C@]6(C)C[C@]5(C)O[C@@H]4C/C=C[C@H](C)[C@@H]2O[C@]1(C)[C@H]3O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Gambierdiscus toxicus | Ref. |
|
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