O1-methyl O2-(phenylmethyl) (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylate

Systemtic Name: O1-methyl O2-(phenylmethyl) (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylate Openeye Name: O2-benzyl O1-methyl (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylate CAS Name: (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-methyl (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylate Traditional Name: (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylic acid O2-benzyl ester O1-methyl ester Formula: C25H24O5 MolecularWeight: 404.45506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=CC=C(C(C3CC2)C(=O)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C3=CC=C([C@@H]([C@H]3CC2)C(=O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24O5/c1-28-18-9-11-19-17(14-18)8-10-21-20(19)12-13-22(23(21)25(27)29-2)24(26)30-15-16-6-4-3-5-7-16/h3-7,9,11-14,21,23H,8,10,15H2,1-2H3/t21-,23+/m0/s1