Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
[(1S,2S,5R,6R,10S,13R,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate
Also Known As: MIOE|Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate|[(1S,2S,5R,6R,10S,13R,14R,16S)-6-(Furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate|7,11-Methano-2H-cycloocta(f)(2)benzopyran-8-acetic acid, 4-(3-furanyl)-1,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (4alpha,4aalpha,6aalpha,7alpha,8alpha,10beta,11alpha,12balpha)-|(4R,4aR,6aS,7S,8S,10R,11R,12bS)-4-(Furan-3-yl)-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxo-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-2H-7,11-methanocycloocta[3,4]benzo[1,2-c]pyran-10-yl 2-methylpropanoate|4-(Furan-3-yl)-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxo-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-2H-7,11-methanocycloocta[3,4]benzo[1,2-c]pyran-10-yl 2-methylpropanoate
| Molecular Formula | C31H40O8 |
|---|---|
| Molecular Weight | 540.27234 g/mol |
| LogP | 5.2186 |
| Topological Polar Surface Area | 109.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.27234 |
| Monoisotopic Mass | 540.27234 |
| Heavy Atoms | 39 |
| Complexity | 1209.0496 |
Chemical Identifiers
| CAS Number | 28057-72-9 |
|---|---|
| SMILES | CC(C)C(=O)O[C@@H]1[C@H]2C=C3[C@H](CC[C@@]4([C@H]3CC(=O)O[C@H]4C5=COC=C5)C)[C@](C2=O)([C@H](C1(C)C)CC(=O)OC)C |
Product Overview
Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate (CAS 28057-72-9), with molecular formula C31H40O8 and molecular weight 540.27234 g/mol. IUPAC: [(1S,2S,5R,6R,10S,13R,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate.