2,10a-dimethyl-1-(3-methylbutyl)-7-oxidanyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one

Systemtic Name: 2,10a-dimethyl-1-(3-methylbutyl)-7-oxidanyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Openeye Name: 7-hydroxy-1-isopentyl-2,10a-dimethyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one CAS Name: 7-hydroxy-2,10a-dimethyl-1-(3-methylbutyl)-1,2,4,4a,9,10-hexahydrophenanthren-3-one IUPAC Name: 7-hydroxy-2,10a-dimethyl-1-(3-methylbutyl)-1,2,4,4a,9,10-hexahydrophenanthren-3-one Traditional Name: 7-hydroxy-1-isoamyl-2,10a-dimethyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2(CCC3=C(C2CC1=O)C=CC(=C3)O)C)CCC(C)C

Isomeric SMILES

CC1C(C2(CCC3=C(C2CC1=O)C=CC(=C3)O)C)CCC(C)C

InChI

InChI=1S/C21H30O2/c1-13(2)5-8-18-14(3)20(23)12-19-17-7-6-16(22)11-15(17)9-10-21(18,19)4/h6-7,11,13-14,18-19,22H,5,8-10,12H2,1-4H3