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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(=O)CC3(C)C)C(=O)O)O

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC[C@H]3[C@]2(CC(=O)CC3(C)C)C(=O)O)O

InChI

InChI=1S/C20H26O4/c1-11(2)14-7-12-5-6-17-19(3,4)9-13(21)10-20(17,18(23)24)15(12)8-16(14)22/h7-8,11,17,22H,5-6,9-10H2,1-4H3,(H,23,24)/t17-,20-/m1/s1