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

Systemtic Name: 10a-methyl-1-(3-methylbutyl)-7-oxidanyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Openeye Name: 7-hydroxy-1-isopentyl-10a-methyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one CAS Name: 7-hydroxy-10a-methyl-1-(3-methylbutyl)-1,2,4,4a,9,10-hexahydrophenanthren-3-one IUPAC Name: 7-hydroxy-10a-methyl-1-(3-methylbutyl)-1,2,4,4a,9,10-hexahydrophenanthren-3-one Traditional Name: 7-hydroxy-1-isoamyl-10a-methyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CC(=O)CC2C1(CCC3=C2C=CC(=C3)O)C

Isomeric SMILES

CC(C)CCC1CC(=O)CC2C1(CCC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C20H28O2/c1-13(2)4-5-15-11-17(22)12-19-18-7-6-16(21)10-14(18)8-9-20(15,19)3/h6-7,10,13,15,19,21H,4-5,8-9,11-12H2,1-3H3