[(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]methyl benzoate

Systemtic Name: [(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]methyl benzoate Openeye Name: [(5S)-5-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-oxolanyl]methyl ester IUPAC Name: [(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(5S)-5-[(3aR,5R,6S,6aR)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]tetrahydrofuran-2-yl]methyl ester Formula: C26H30O7 MolecularWeight: 454.5122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C3CCC(O3)COC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]3CCC(O3)COC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C26H30O7/c1-26(2)32-23-22(28-15-17-9-5-3-6-10-17)21(31-25(23)33-26)20-14-13-19(30-20)16-29-24(27)18-11-7-4-8-12-18/h3-12,19-23,25H,13-16H2,1-2H3/t19?,20-,21+,22-,23+,25+/m0/s1