5-acetyloxy-1,4a-dimethyl-8-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid

Systemtic Name: 5-acetyloxy-1,4a-dimethyl-8-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid Openeye Name: 5-acetoxy-8-hydroxy-7-isopropyl-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid CAS Name: 5-acetyloxy-8-hydroxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid IUPAC Name: 5-acetyloxy-8-hydroxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid Traditional Name: 5-acetoxy-8-hydroxy-7-isopropyl-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2(C1CCC3=C(C(=CC(=C32)OC(=O)C)C(C)C)O)C)C(=O)O

Isomeric SMILES

CC1=C(CCC2(C1CCC3=C(C(=CC(=C32)OC(=O)C)C(C)C)O)C)C(=O)O

InChI

InChI=1S/C22H28O5/c1-11(2)16-10-18(27-13(4)23)19-15(20(16)24)6-7-17-12(3)14(21(25)26)8-9-22(17,19)5/h10-11,17,24H,6-9H2,1-5H3,(H,25,26)