(4aR,10aS)-1,1-dimethyl-6-oxidanyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid

Systemtic Name: (4aR,10aS)-1,1-dimethyl-6-oxidanyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid Openeye Name: (4aR,10aS)-6-hydroxy-7-isopropyl-1,1-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid CAS Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid IUPAC Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid Traditional Name: (4aR,10aS)-6-hydroxy-7-isopropyl-9-keto-1,1-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid Formula: C20H26O4 MolecularWeight: 330.41804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C(=O)O)O

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O

InChI

InChI=1S/C20H26O4/c1-11(2)12-8-13-14(9-15(12)21)20(18(23)24)7-5-6-19(3,4)17(20)10-16(13)22/h8-9,11,17,21H,5-7,10H2,1-4H3,(H,23,24)/t17-,20-/m0/s1