1-(carboxymethyl)-6-methoxy-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-6-methoxy-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Openeye Name: 7-benzyloxy-1-(carboxymethyl)-6-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid CAS Name: 1-(carboxymethyl)-6-methoxy-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid IUPAC Name: 1-(carboxymethyl)-6-methoxy-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Traditional Name: 7-benzoxy-1-(carboxymethyl)-6-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Formula: C26H30O6 MolecularWeight: 438.5128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC(=O)O)CCC3=CC(=C(C=C23)OC)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1(CCC2C(C1CC(=O)O)CCC3=CC(=C(C=C23)OC)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H30O6/c1-26(25(29)30)11-10-18-19(21(26)14-24(27)28)9-8-17-12-23(22(31-2)13-20(17)18)32-15-16-6-4-3-5-7-16/h3-7,12-13,18-19,21H,8-11,14-15H2,1-2H3,(H,27,28)(H,29,30)