| Name |
Simplexin E
(+)-Simplexin E |
| Formula |
C33H52O11 |
| Mw |
624.3509625 |
| CAS RN |
1154411-22-9 |
| C_ID |
C00047572
, 
|
| InChIKey |
IAZCISKNKJSEDU-OPDSGCMPNA-N |
| InChICode |
InChI=1S/C33H52O11/c1-10-13-23(36)43-28-25(18(4)5)26-27(33(9,39)30(28)40-19(6)34)20-17-31(7,38)21(42-22(35)12-3)15-16-32(8,29(26)41-20)44-24(37)14-11-2/h12,18,20-21,25-30,38-39H,3,10-11,13-17H2,1-2,4-9H3/t20-,21+,25-,26-,27-,28+,29-,30-,31+,32+,33+/m1/s1 |
| SMILES |
C=CC(=O)O[C@H]1CC[C@](C)(OC(=O)CCC)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@]1(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
|
zoom in
|
