[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-5,6-dimethoxy-2,14,18-trimethyl-15,16-bis(oxidanyl)-13-oxidanylidene-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-17-yl] 4-methoxybenzoate

Systemtic Name: [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-5,6-dimethoxy-2,14,18-trimethyl-15,16-bis(oxidanyl)-13-oxidanylidene-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-17-yl] 4-methoxybenzoate Openeye Name: [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-15,16-dihydroxy-5,6-dimethoxy-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-17-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-15,16-dihydroxy-5,6-dimethoxy-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-17-yl] ester IUPAC Name: [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-15,16-dihydroxy-5,6-dimethoxy-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-17-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-15,16-dihydroxy-13-keto-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-17-yl] ester Formula: C36H48O10 MolecularWeight: 640.76032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C(CCCCC(OC(=O)C(C2(C(C(C(C1O2)C)OC(=O)C3=CC=C(C=C3)OC)O)O)C)C4=CC=CC=C4)OC)OC

Isomeric SMILES

C[C@H]1/C=C/[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@H]([C@H]([C@@H]([C@H]1O2)C)OC(=O)C3=CC=C(C=C3)OC)O)O)C)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C36H48O10/c1-22-16-21-30(43-6)29(42-5)15-11-10-14-28(25-12-8-7-9-13-25)44-34(38)24(3)36(40)33(37)32(23(2)31(22)46-36)45-35(39)26-17-19-27(41-4)20-18-26/h7-9,12-13,16-24,28-33,37,40H,10-11,14-15H2,1-6H3/b21-16+/t22-,23+,24+,28-,29-,30+,31-,32-,33-,36+/m0/s1