[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[(2R)-4-[(4R)-2,6,6-trimethyl-4-(phenylcarbonyloxy)cyclohexen-1-yl]butan-2-yl]oxy-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[(2R)-4-[(4R)-2,6,6-trimethyl-4-(phenylcarbonyloxy)cyclohexen-1-yl]butan-2-yl]oxy-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-3-[(4R)-4-benzoyloxy-2,6,6-trimethyl-cyclohexen-1-yl]-1-methyl-propoxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2R)-4-[(4R)-4-benzoyloxy-2,6,6-trimethyl-1-cyclohexenyl]butan-2-yl]oxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2R)-4-[(4R)-4-benzoyloxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-3-[(4R)-4-benzoyloxy-2,6,6-trimethyl-cyclohexen-1-yl]-1-methyl-propoxy]tetrahydropyran-2-yl]methyl ester Formula: C54H54O12 MolecularWeight: 894.99936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)OC(=O)C2=CC=CC=C2)(C)C)CCC(C)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

CC1=C(C(C[C@@H](C1)OC(=O)C2=CC=CC=C2)(C)C)CC[C@@H](C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C54H54O12/c1-35-32-42(62-49(56)38-22-12-6-13-23-38)33-54(3,4)43(35)31-30-36(2)61-53-47(66-52(59)41-28-18-9-19-29-41)46(65-51(58)40-26-16-8-17-27-40)45(64-50(57)39-24-14-7-15-25-39)44(63-53)34-60-48(55)37-20-10-5-11-21-37/h5-29,36,42,44-47,53H,30-34H2,1-4H3/t36-,42-,44-,45-,46+,47-,53-/m1/s1