| Name |
[3aS-[3aR*,4R*(S*),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-oxobutoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin B |
| Formula |
C23H32O9 |
| Mw |
452.20463262 |
| CAS RN |
74562-66-6 |
| C_ID |
C00012298
, 
|
| InChIKey |
XALSSUJUJYVDBP-HGUIABKMNA-N |
| InChICode |
InChI=1S/C23H32O9/c1-6-12(2)21(26)32-20-18-13(3)22(27)31-17(18)10-15(11-24)8-7-9-16(23(28)29-5)19(20)30-14(4)25/h9,12,15,17-20,24H,3,6-8,10-11H2,1-2,4-5H3/b16-9+/t12-,15-,17-,18-,19+,20+/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@H](C)CC)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Melampodium leucanthum | Ref. |
|
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