| Name |
Simplexin G
(+)-Simplexin G |
| Formula |
C28H46O10 |
| Mw |
542.30909769 |
| CAS RN |
1154411-26-3 |
| C_ID |
C00047574
, 
|
| InChIKey |
JTQVAPBCNOBYPM-FNLAUVPFNA-N |
| InChICode |
InChI=1S/C28H46O10/c1-9-10-19(32)38-27(7)12-11-18(31)26(6,33)13-17-22-21(24(27)37-17)20(14(2)3)23(35-15(4)29)25(28(22,8)34)36-16(5)30/h14,17-18,20-25,31,33-34H,9-13H2,1-8H3/t17-,18+,20-,21-,22-,23+,24-,25-,26+,27+,28+/m1/s1 |
| SMILES |
CCCC(=O)O[C@@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
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