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

Systemtic Name: (3S,4aR,10aR)-3-bromanyl-4a-ethyl-7-oxidanyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one Openeye Name: (3S,4aR,10aR)-3-bromo-4a-ethyl-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one CAS Name: (3S,4aR,10aR)-3-bromo-4a-ethyl-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one IUPAC Name: (3S,4aR,10aR)-3-bromo-4a-ethyl-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one Traditional Name: (3S,4aR,10aR)-3-bromo-4a-ethyl-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one Formula: C16H19BrO2 MolecularWeight: 323.22486

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(=O)CC1CCC3=C2C=CC(=C3)O)Br

Isomeric SMILES

CC[C@@]12C[C@@H](C(=O)C[C@H]1CCC3=C2C=CC(=C3)O)Br

InChI

InChI=1S/C16H19BrO2/c1-2-16-9-14(17)15(19)8-11(16)4-3-10-7-12(18)5-6-13(10)16/h5-7,11,14,18H,2-4,8-9H2,1H3/t11-,14+,16-/m1/s1