methyl (3aR,5R,7R,7aS)-7-oxidanyl-2-phenyl-5-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aR,5R,7R,7aS)-7-oxidanyl-2-phenyl-5-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aR,5R,7R,7aS)-5-benzyloxy-7-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,5R,7R,7aS)-7-hydroxy-2-phenyl-5-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,5R,7R,7aS)-7-hydroxy-2-phenyl-5-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,5R,7R,7aS)-5-benzoxy-7-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C2C(C1)OC(O2)C3=CC=CC=C3)O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@]1(C[C@H]([C@H]2[C@@H](C1)OC(O2)C3=CC=CC=C3)O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H24O6/c1-25-21(24)22(26-14-15-8-4-2-5-9-15)12-17(23)19-18(13-22)27-20(28-19)16-10-6-3-7-11-16/h2-11,17-20,23H,12-14H2,1H3/t17-,18-,19+,20?,22-/m1/s1