| Name |
[3aS-(3aR*,4R*,5R*,6E,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxopropoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin A |
| Formula |
C22H30O9 |
| Mw |
438.18898256 |
| CAS RN |
74562-62-2 |
| C_ID |
C00012297
, 
|
| InChIKey |
MJAHIVDNGNEUAZ-SHYBBPHXNA-N |
| InChICode |
InChI=1S/C22H30O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8,11,14,16-19,23H,3,6-7,9-10H2,1-2,4-5H3/b15-8+/t14-,16-,17-,18+,19+/m1/s1 |
| SMILES |
C=C1C(=O)O[C@@H]2CC(CO)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Melampodium leucanthum | Ref. |
|
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