| Name |
Certonardoside A |
| Formula |
C39H66O17S |
| Mw |
838.40207141 |
| CAS RN |
476437-72-6 |
| C_ID |
C00045742
, 
|
| InChIKey |
ZADHQGHCYVGCBA-OXUZSDTNNA-N |
| InChICode |
InChI=1S/C39H66O17S/c1-18(20(3)15-52-35-33(31(26(44)17-53-35)56-57(48,49)50)55-36-32(51-6)30(46)25(43)16-54-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)47/h19-36,40-47H,1,7-17H2,2-6H3,(H,48,49,50)/t19-,20+,21-,22+,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34-,35-,36+,37-,38-,39+/m1/s1 |
| SMILES |
C1[C@@H]([C@@H]([C@H]2[C@](C1)([C@@H]1[C@@](C[C@@H]2O)([C@H]2[C@](CC1)([C@H](C[C@H]2O)[C@@H](CCC(=C)[C@@H](C)CO[C@H]1[C@@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2OC)O)O)[C@@H]([C@@H](CO1)O)OS(=O)(=O)O)C)C)O)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Certonardoa semiregularis | Ref. |
|
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