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

Systemtic Name: methyl (3aR,5S,7R,7aR)-7-acetyloxy-5-oxidanyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aR,5S,7R,7aR)-7-acetoxy-5-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,5S,7R,7aR)-7-acetyloxy-5-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,5S,7R,7aR)-7-acetyloxy-5-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,5S,7R,7aR)-7-acetoxy-5-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC2C1OC(O2)C3=CC=CC=C3)(C(=O)OC)O

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@](C[C@@H]2[C@H]1OC(O2)C3=CC=CC=C3)(C(=O)OC)O

InChI

InChI=1S/C17H20O7/c1-10(18)22-12-8-17(20,16(19)21-2)9-13-14(12)24-15(23-13)11-6-4-3-5-7-11/h3-7,12-15,20H,8-9H2,1-2H3/t12-,13-,14+,15?,17-/m1/s1