[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-oxidanylidene-penta-1,3-dienyl]cyclohex-3-en-1-yl]oxy-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-oxidanylidene-penta-1,3-dienyl]cyclohex-3-en-1-yl]oxy-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-oxo-penta-1,3-dienyl]cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(1R)-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-oxopenta-1,3-dienyl]-1-cyclohex-3-enyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-oxopenta-1,3-dienyl]cyclohex-3-en-1-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-4-[(1E,3E)-5-keto-3-methyl-penta-1,3-dienyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C49H48O11 MolecularWeight: 812.89882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)C)C=CC(=CC=O)C

Isomeric SMILES

CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)C)/C=C/C(=C/C=O)/C

InChI

InChI=1S/C49H48O11/c1-32(27-28-50)25-26-39-33(2)29-38(30-49(39,3)4)56-48-43(60-47(54)37-23-15-8-16-24-37)42(59-46(53)36-21-13-7-14-22-36)41(58-45(52)35-19-11-6-12-20-35)40(57-48)31-55-44(51)34-17-9-5-10-18-34/h5-28,38,40-43,48H,29-31H2,1-4H3/b26-25+,32-27+/t38-,40-,41-,42+,43-,48-/m1/s1