Chlorojanerin
[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Also Known As: Chlorojanerin|chlorjanerin|J2.351.585G|[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate|((3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-4-yl) 2-(hydroxymethyl)prop-2-enoate|(1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide,|(3aR,3abeta,6abeta,9abeta,9balpha)-3,6-Bismethylene-4beta-[2-(hydroxymethyl)propenoyloxy]-8alpha,9beta-dihydroxy-9-(chloromethyl)dodecahydroazuleno[4,5-b]furan-2-one|(3AR,4S,6AR,8S,9S,9AS,9BS)-9-(CHLOROMETHYL)-8,9-DIHYDROXY-3,6-DIMETHYLIDENE-2-OXO-DODECAHYDROAZULENO[4,5-B]FURAN-4-YL 2-(HYDROXYMETHYL)PROP-2-ENOATE|(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate|[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate|2-Propenoic acid, 2-(hydroxymethyl)-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,8beta,9alpha,9aalpha,9bbeta))-|9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
| Molecular Formula | C19H23ClO7 |
|---|---|
| Molecular Weight | 398.11322 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11322 |
| Monoisotopic Mass | 398.11322 |
| Heavy Atoms | 27 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 64205-85-2 |
|---|---|
| SMILES | C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]([C@@]3(CCl)O)O)OC(=O)C2=C)OC(=O)C(=C)CO |
| InChIKey | UHEMKMBRGXUBMJ-URUZQALBSA-N |
Product Overview
Chlorojanerin (CAS 64205-85-2), with molecular formula C19H23ClO7 and molecular weight 398.11322 g/mol. IUPAC: [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate.