(1S,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

Systemtic Name: (1S,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Openeye Name: (1S,4aS,10aR)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid CAS Name: (1S,4aS,10aR)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid IUPAC Name: (1S,4aS,10aR)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Traditional Name: (1S,4aS,10aR)-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC(=O)C3=CC=CC=C23)(C)C(=O)O

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1CC(=O)C3=CC=CC=C23)(C)C(=O)O

InChI

InChI=1S/C17H20O3/c1-16-8-5-9-17(2,15(19)20)14(16)10-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,14H,5,8-10H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1