| Name |
Simplexin D
(+)-Simplexin D |
| Formula |
C34H56O11 |
| Mw |
640.38226263 |
| CAS RN |
1154411-20-7 |
| C_ID |
C00047571
, 
|
| InChIKey |
VHXIMQMYFMEVSV-MJYIMFRHNA-N |
| InChICode |
InChI=1S/C34H56O11/c1-10-13-23(36)43-22-16-17-33(8,45-25(38)15-12-3)30-27-26(19(4)5)29(44-24(37)14-11-2)31(41-20(6)35)34(9,40)28(27)21(42-30)18-32(22,7)39/h19,21-22,26-31,39-40H,10-18H2,1-9H3/t21-,22+,26-,27-,28-,29+,30-,31-,32+,33+,34+/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)CCC)(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
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