1,4a-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; ethanoic acid

Systemtic Name: 1,4a-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; ethanoic acid Openeye Name: acetic acid; 6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid CAS Name: acetic acid; 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid IUPAC Name: acetic acid; 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Traditional Name: acetic acid; 6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)O.CC(=O)O

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)O.CC(=O)O

InChI

InChI=1S/C20H28O3.C2H4O2/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23;1-2(3)4/h10-12,17,21H,5-9H2,1-4H3,(H,22,23);1H3,(H,3,4)