[(2R,3S,4E,6R,7S)-3-[(E)-but-2-enoyl]oxy-2-methyl-6-oxidanyl-10-oxidanylidene-2,3,6,7,8,9-hexahydrooxecin-7-yl] 2-bromanylbenzoate

Systemtic Name: [(2R,3S,4E,6R,7S)-3-[(E)-but-2-enoyl]oxy-2-methyl-6-oxidanyl-10-oxidanylidene-2,3,6,7,8,9-hexahydrooxecin-7-yl] 2-bromanylbenzoate Openeye Name: [(2R,3S,4E,6R,7S)-3-[(E)-but-2-enoyl]oxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-7-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2R,3S,4E,6R,7S)-6-hydroxy-2-methyl-10-oxo-3-[(E)-1-oxobut-2-enoxy]-2,3,6,7,8,9-hexahydrooxecin-7-yl] ester IUPAC Name: [(2R,3S,4E,6R,7S)-3-[(E)-but-2-enoyl]oxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-7-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(2R,3S,4E,6R,7S)-3-[(E)-but-2-enoyl]oxy-6-hydroxy-10-keto-2-methyl-2,3,6,7,8,9-hexahydrooxecin-7-yl] ester Formula: C21H23BrO7 MolecularWeight: 467.30712

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC1C=CC(C(CCC(=O)OC1C)OC(=O)C2=CC=CC=C2Br)O

Isomeric SMILES

C/C=C/C(=O)O[C@H]1/C=C/[C@H]([C@H](CCC(=O)O[C@@H]1C)OC(=O)C2=CC=CC=C2Br)O

InChI

InChI=1S/C21H23BrO7/c1-3-6-19(24)28-17-10-9-16(23)18(11-12-20(25)27-13(17)2)29-21(26)14-7-4-5-8-15(14)22/h3-10,13,16-18,23H,11-12H2,1-2H3/b6-3+,10-9+/t13-,16-,17+,18+/m1/s1