Zexbrevin
(2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 2-methylprop-2-enoate
Also Known As: ZEXBREVIN|NCI60_002783|(dimethyl-methylene-dioxo-[?]yl) 2-methylprop-2-enoate|(2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo(9.2.1.04,8)tetradec-1(13)-en-9-yl) 2-methylprop-2-enoate|(2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 2-methylprop-2-enoate|(2R,4R,8R,9R,11R)-2,11-Dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo(9.2.1.0,)tetradec-1(13)-en-9-yl 2-methylprop-2-enoic acid|(2R,4R,8R,9R,11R)-2,11-Dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0,]tetradec-1(13)-en-9-yl 2-methylprop-2-enoic acid|2-Propenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester|6,10-Dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,9-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14163 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.14163 |
| Monoisotopic Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 28644-86-2 |
|---|---|
| SMILES | CC1CC2C(C(CC3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2 |
| InChIKey | KYTKEOOPALLADL-UHFFFAOYSA-N |
Product Overview
Zexbrevin (CAS 28644-86-2), with molecular formula C19H22O6 and molecular weight 346.14163 g/mol. IUPAC: (2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 2-methylprop-2-enoate.