(4aS)-7-bromanyl-1,1,4a-trimethyl-6-oxidanyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: (4aS)-7-bromanyl-1,1,4a-trimethyl-6-oxidanyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: (4aS)-7-bromo-6-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: (4aS)-7-bromo-6-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: (4aS)-7-bromo-6-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: (4aS)-7-bromo-6-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C17H21BrO2 MolecularWeight: 337.25144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CC(=O)C3=CC(=C(C=C32)O)Br)C)C

Isomeric SMILES

C[C@]12CCCC(C1CC(=O)C3=CC(=C(C=C23)O)Br)(C)C

InChI

InChI=1S/C17H21BrO2/c1-16(2)5-4-6-17(3)11-8-14(20)12(18)7-10(11)13(19)9-15(16)17/h7-8,15,20H,4-6,9H2,1-3H3/t15?,17-/m1/s1