3,3-bis[(7S,11S)-7,11-dimethyl-21-prop-2-enoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[(7S,11S)-7,11-dimethyl-21-prop-2-enoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl]-2-benzofuran-1-one Openeye Name: 3,3-bis[(7S,11S)-21-allyloxy-7,11-dimethyl-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl]isobenzofuran-1-one CAS Name: 3,3-bis[(7S,11S)-7,11-dimethyl-21-prop-2-enoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(20),17(21),18-trien-19-yl]-1-isobenzofuranone IUPAC Name: 3,3-bis[(7S,11S)-7,11-dimethyl-21-prop-2-enoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl]-2-benzofuran-1-one Traditional Name: 3,3-bis[(7S,11S)-21-allyloxy-7,11-dimethyl-3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(20),17(21),18-trien-19-yl]phthalide Formula: C50H66O14 MolecularWeight: 891.05064

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(OCCOCC2=C(C(=CC(=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC6=C(C(=C5)COCCOC(COCC(OCCOC6)C)C)OCC=C)COCCO1)OCC=C)C

Isomeric SMILES

C[C@H]1COC[C@@H](OCCOCC2=C(C(=CC(=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC6=C(C(=C5)COCCO[C@H](COC[C@@H](OCCOC6)C)C)OCC=C)COCCO1)OCC=C)C

InChI

InChI=1S/C50H66O14/c1-7-13-62-47-39-23-43(24-40(47)32-53-16-20-59-36(4)28-56-27-35(3)58-19-15-52-31-39)50(46-12-10-9-11-45(46)49(51)64-50)44-25-41-33-54-17-21-60-37(5)29-57-30-38(6)61-22-18-55-34-42(26-44)48(41)63-14-8-2/h7-12,23-26,35-38H,1-2,13-22,27-34H2,3-6H3/t35-,36-,37-,38-/m0/s1