[(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-(dioxidanyl)-4-methyl-pent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate

Systemtic Name: [(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-(dioxidanyl)-4-methyl-pent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate Openeye Name: [(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methyl-pent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i]isobenzofuran-9-yl]vinyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i]isobenzofuran-9-yl]ethenyl] ester IUPAC Name: [(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methyl-pent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-fur[2,3-i]isobenzofuran-9-yl]vinyl] ester Formula: C26H38O7 MolecularWeight: 462.57572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC=CC1C(CC=C2C13C(CC(O3)(C)OC)OC2)(C)CC=CC(C)(C)OO)C

Isomeric SMILES

CC(=CC(=O)O/C=C/[C@@H]1[C@@](CC=C2[C@]13[C@H](C[C@@](O3)(C)OC)OC2)(C)C/C=C/C(C)(C)OO)C

InChI

InChI=1S/C26H38O7/c1-18(2)15-22(27)30-14-10-20-24(5,12-8-11-23(3,4)33-28)13-9-19-17-31-21-16-25(6,29-7)32-26(19,20)21/h8-11,14-15,20-21,28H,12-13,16-17H2,1-7H3/b11-8+,14-10+/t20-,21+,24+,25+,26-/m1/s1