| Name |
Simplexin C
(+)-Simplexin C |
| Formula |
C32H52O11 |
| Mw |
612.3509625 |
| CAS RN |
1154411-18-3 |
| C_ID |
C00047570
, 
|
| InChIKey |
HCQIFRTWVUQXOW-SBIGGVPLNA-N |
| InChICode |
InChI=1S/C32H52O11/c1-10-12-22(35)42-27-24(17(3)4)25-26(32(9,38)29(27)40-19(6)34)20-16-30(7,37)21(39-18(5)33)14-15-31(8,28(25)41-20)43-23(36)13-11-2/h17,20-21,24-29,37-38H,10-16H2,1-9H3/t20-,21+,24-,25-,26-,27+,28-,29-,30+,31+,32+/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)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
|
zoom in
| Organism | Klyxum simplex |
|---|
| Reference | Wu,J.Nat.Prod.,72,(2009),994 |
|---|
|
