[(2R,3aS,8bS)-5-(4-methoxy-4-oxidanylidene-butyl)-1-[(E,3S)-4-methyl-3-(phenylcarbonyloxy)oct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-yl] 4-methylbenzoate

Systemtic Name: [(2R,3aS,8bS)-5-(4-methoxy-4-oxidanylidene-butyl)-1-[(E,3S)-4-methyl-3-(phenylcarbonyloxy)oct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-yl] 4-methylbenzoate Openeye Name: [(2R,3aS,8bS)-1-[(E,3S)-3-benzoyloxy-4-methyl-oct-1-en-6-ynyl]-5-(4-methoxy-4-oxo-butyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3aS,8bS)-1-[(E,3S)-3-benzoyloxy-4-methyloct-1-en-6-ynyl]-5-(4-methoxy-4-oxobutyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-yl] ester IUPAC Name: [(2R,3aS,8bS)-1-[(E,3S)-3-benzoyloxy-4-methyloct-1-en-6-ynyl]-5-(4-methoxy-4-oxobutyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3aS,8bS)-1-[(E,3S)-3-benzoyloxy-4-methyl-oct-1-en-6-ynyl]-5-(4-keto-4-methoxy-butyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-yl] ester Formula: C40H42O7 MolecularWeight: 634.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1C(CC2C1C3=C(O2)C(=CC=C3)CCCC(=O)OC)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC#CCC(C)[C@@H](/C=C/C1[C@@H](C[C@H]2[C@@H]1C3=C(O2)C(=CC=C3)CCCC(=O)OC)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H42O7/c1-5-6-12-27(3)33(46-39(42)29-13-8-7-9-14-29)24-23-31-34(47-40(43)30-21-19-26(2)20-22-30)25-35-37(31)32-17-10-15-28(38(32)45-35)16-11-18-36(41)44-4/h7-10,13-15,17,19-24,27,31,33-35,37H,11-12,16,18,25H2,1-4H3/b24-23+/t27?,31?,33-,34-,35+,37+/m1/s1