1-[(2S)-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]prop-2-yn-1-one

Systemtic Name: 1-[(2S)-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]prop-2-yn-1-one Openeye Name: 1-[(2S)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]prop-2-yn-1-one CAS Name: 1-[(2S)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]-2-propyn-1-one IUPAC Name: 1-[(2S)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]prop-2-yn-1-one Traditional Name: 1-[(2S)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]prop-2-yn-1-one Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)CCC3=C2C=CC(=C3)O)C(=O)C#C

Isomeric SMILES

C[C@@]1(CCC2C(C1)CCC3=C2C=CC(=C3)O)C(=O)C#C

InChI

InChI=1S/C18H20O2/c1-3-17(20)18(2)9-8-16-13(11-18)5-4-12-10-14(19)6-7-15(12)16/h1,6-7,10,13,16,19H,4-5,8-9,11H2,2H3/t13?,16?,18-/m0/s1