| 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@H]12[C@H]([C@@]([C@@H]([C@H]([C@@H]1C(C)C)OC(=O)CCC)OC(=O)C)(O)C)[C@H]1C[C@]([C@H](CC[C@]([C@@H]2O1)(C)OC(=O)CCC)OC(=O)C=C)(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
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