| Name |
Simplexin A
(-)-Simplexin A |
| Formula |
C26H42O6 |
| Mw |
450.29813907 |
| CAS RN |
1154411-15-0 |
| C_ID |
C00047568
, 
|
| InChIKey |
UKQZTSVTMXZKLS-SLQYFLQSNA-N |
| InChICode |
InChI=1S/C26H42O6/c1-8-9-21(29)32-26(7)13-11-19(28)16(4)14-20-23-22(24(26)30-20)18(15(2)3)10-12-25(23,6)31-17(5)27/h15,18-20,22-24,28H,4,8-14H2,1-3,5-7H3/t18-,19+,20-,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]1CC(=C)[C@H](CC[C@]([C@@H]2O1)(C)OC(=O)CCC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
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