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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3=C(C1CC(=O)CC2CCC(C)C)C=CC(=C3)O

Isomeric SMILES

CCC12CCC3=C(C1CC(=O)CC2CCC(C)C)C=CC(=C3)O

InChI

InChI=1S/C21H30O2/c1-4-21-10-9-15-11-17(22)7-8-19(15)20(21)13-18(23)12-16(21)6-5-14(2)3/h7-8,11,14,16,20,22H,4-6,9-10,12-13H2,1-3H3