(2R)-3-[[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]oxy]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: (2R)-3-[[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]oxy]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: (2R)-3-[[(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]oxy]-2-methyl-3-oxo-propanoic acid CAS Name: (2R)-3-[[(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]oxy]-2-methyl-3-oxopropanoic acid IUPAC Name: (2R)-3-[[(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]oxy]-2-methyl-3-oxopropanoic acid Traditional Name: (2R)-3-[[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-2-keto-3,6-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]oxy]-3-keto-2-methyl-propionic acid Formula: C19H23ClO8 MolecularWeight: 414.83412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O

Isomeric SMILES

C[C@H](C(=O)O)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(CCl)O)O

InChI

InChI=1S/C19H23ClO8/c1-7-4-11(27-18(25)9(3)16(22)23)13-8(2)17(24)28-15(13)14-10(7)5-12(21)19(14,26)6-20/h9-15,21,26H,1-2,4-6H2,3H3,(H,22,23)/t9-,10+,11+,12+,13-,14+,15+,19-/m1/s1