| Name |
Simplexin B
(+)-Simplexin B |
| Formula |
C26H44O7 |
| Mw |
468.30870376 |
| CAS RN |
1154411-16-1 |
| C_ID |
C00047569
, 
|
| InChIKey |
NZZIMSYNSHSKMZ-DUOZVYGYNA-N |
| InChICode |
InChI=1S/C26H44O7/c1-8-9-20(29)33-26(7)13-11-19(28)24(5,30)14-18-22-21(23(26)31-18)17(15(2)3)10-12-25(22,6)32-16(4)27/h15,17-19,21-23,28,30H,8-14H2,1-7H3/t17-,18-,19+,21-,22-,23-,24+,25-,26+/m1/s1 |
| SMILES |
[C@H]12[C@H]([C@@](CC[C@@H]1C(C)C)(OC(=O)C)C)[C@H]1C[C@]([C@H](CC[C@]([C@@H]2O1)(C)OC(=O)CCC)O)(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
|
zoom in
|
