Lobatin A
[(3aS,4S,5R,6R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
Also Known As: Lobatin A|[(1R,3Z,7R,8R,9S,10S)-7,8-dihydroxy-3,7-dimethyl-11-methylidene-6,12-dioxo-13-oxabicyclo[8.3.0]tridec-3-en-9-yl] 3-methylbutanoate|Butanoic acid, 3-methyl-, (3aS,4S,5R,6R,9Z,11aR)-2,3,3a,4,5,6,7,8,11,11a-decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca(b)furan-4-yl ester
| Molecular Formula | C20H28O7 |
|---|---|
| Molecular Weight | 380.1835 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1835 |
| Monoisotopic Mass | 380.1835 |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 84754-03-0 |
|---|---|
| SMILES | CC1=CCC(=O)[C@]([C@@H]([C@H]([C@@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)CC(C)C)O)(C)O |
| InChIKey | UDVWRXYAYUIACW-NLXNBFQESA-N |
Product Overview
Lobatin A (CAS 84754-03-0), with molecular formula C20H28O7 and molecular weight 380.1835 g/mol. IUPAC: [(3aS,4S,5R,6R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate.
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