[(2E,6R)-6-[(2S,3R,4S,5R,6R)-6-(2-chloranylethanoyloxymethyl)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]oxy-2,6-dimethyl-octa-2,7-dienyl] benzoate

Systemtic Name: [(2E,6R)-6-[(2S,3R,4S,5R,6R)-6-(2-chloranylethanoyloxymethyl)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]oxy-2,6-dimethyl-octa-2,7-dienyl] benzoate Openeye Name: [(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2-chloroacetyl)oxymethyl]tetrahydropyran-2-yl]oxy-octa-2,7-dienyl] benzoate CAS Name: benzoic acid [(2E,6R)-2,6-dimethyl-6-[[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2-chloro-1-oxoethoxy)methyl]-2-oxanyl]oxy]octa-2,7-dienyl] ester IUPAC Name: [(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2-chloroacetyl)oxymethyl]oxan-2-yl]oxyocta-2,7-dienyl] benzoate Traditional Name: benzoic acid [(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2-chloroacetyl)oxymethyl]tetrahydropyran-2-yl]oxy-octa-2,7-dienyl] ester Formula: C46H45ClO12 MolecularWeight: 825.2953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)COC(=O)CCl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C/C(=C\CC[C@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CCl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)/COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C46H45ClO12/c1-4-46(3,27-17-18-31(2)29-54-41(49)32-19-9-5-10-20-32)59-45-40(58-44(52)35-25-15-8-16-26-35)39(57-43(51)34-23-13-7-14-24-34)38(36(55-45)30-53-37(48)28-47)56-42(50)33-21-11-6-12-22-33/h4-16,18-26,36,38-40,45H,1,17,27-30H2,2-3H3/b31-18+/t36-,38-,39+,40-,45+,46+/m1/s1