1-butyl-4,10a-dimethyl-7-oxidanyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one

Systemtic Name: 1-butyl-4,10a-dimethyl-7-oxidanyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Openeye Name: 1-butyl-7-hydroxy-4,10a-dimethyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one CAS Name: 1-butyl-7-hydroxy-4,10a-dimethyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one IUPAC Name: 1-butyl-7-hydroxy-4,10a-dimethyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Traditional Name: 1-butyl-7-hydroxy-4,10a-dimethyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)C(C2C1(CCC3=C2C=CC(=C3)O)C)C

Isomeric SMILES

CCCCC1CC(=O)C(C2C1(CCC3=C2C=CC(=C3)O)C)C

InChI

InChI=1S/C20H28O2/c1-4-5-6-15-12-18(22)13(2)19-17-8-7-16(21)11-14(17)9-10-20(15,19)3/h7-8,11,13,15,19,21H,4-6,9-10,12H2,1-3H3