[(3aS,4S,6R,7R,7aS)-2,2-dimethyl-7-oxidanyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl benzoate

Systemtic Name: [(3aS,4S,6R,7R,7aS)-2,2-dimethyl-7-oxidanyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl benzoate Openeye Name: [(3aS,4S,6R,7R,7aS)-4-benzyloxy-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl benzoate CAS Name: benzoic acid [(3aS,4S,6R,7R,7aS)-7-hydroxy-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl ester IUPAC Name: [(3aS,4S,6R,7R,7aS)-7-hydroxy-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl benzoate Traditional Name: benzoic acid [(3aS,4S,6R,7R,7aS)-4-benzoxy-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl ester Formula: C23H26O7 MolecularWeight: 414.44834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC(C2O1)OCC3=CC=CC=C3)COC(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O1)OCC3=CC=CC=C3)COC(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C23H26O7/c1-23(2)29-19-18(24)17(14-26-21(25)16-11-7-4-8-12-16)28-22(20(19)30-23)27-13-15-9-5-3-6-10-15/h3-12,17-20,22,24H,13-14H2,1-2H3/t17-,18-,19+,20+,22+/m1/s1