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

Systemtic Name: (1S,4aR)-1,4a-dimethyl-10-oxidanyl-9-oxidanylidene-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Openeye Name: (1S,4aR)-10-hydroxy-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid CAS Name: (1S,4aR)-10-hydroxy-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid IUPAC Name: (1S,4aR)-10-hydroxy-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Traditional Name: (1S,4aR)-10-hydroxy-9-keto-1,4a-dimethyl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Formula: C17H18O4 MolecularWeight: 286.32242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1=C(C(=O)C3=CC=CC=C23)O)(C)C(=O)O

Isomeric SMILES

C[C@]12CCC[C@](C1=C(C(=O)C3=CC=CC=C23)O)(C)C(=O)O

InChI

InChI=1S/C17H18O4/c1-16-8-5-9-17(2,15(20)21)14(16)13(19)12(18)10-6-3-4-7-11(10)16/h3-4,6-7,19H,5,8-9H2,1-2H3,(H,20,21)/t16-,17+/m1/s1