1-[(1R,3aR,5S,6S,8aS)-5-iodanyl-3a,6-dimethyl-6-oxidanyl-1,2,3,4,5,7,8,8a-octahydroazulen-1-yl]ethanone

Systemtic Name: 1-[(1R,3aR,5S,6S,8aS)-5-iodanyl-3a,6-dimethyl-6-oxidanyl-1,2,3,4,5,7,8,8a-octahydroazulen-1-yl]ethanone Openeye Name: 1-[(1R,3aR,5S,6S,8aS)-6-hydroxy-5-iodo-3a,6-dimethyl-1,2,3,4,5,7,8,8a-octahydroazulen-1-yl]ethanone CAS Name: 1-[(1R,3aR,5S,6S,8aS)-6-hydroxy-5-iodo-3a,6-dimethyl-1,2,3,4,5,7,8,8a-octahydroazulen-1-yl]ethanone IUPAC Name: 1-[(1R,3aR,5S,6S,8aS)-6-hydroxy-5-iodo-3a,6-dimethyl-1,2,3,4,5,7,8,8a-octahydroazulen-1-yl]ethanone Traditional Name: 1-[(1R,3aR,5S,6S,8aS)-6-hydroxy-5-iodo-3a,6-dimethyl-1,2,3,4,5,7,8,8a-octahydroazulen-1-yl]ethanone Formula: C14H23IO2 MolecularWeight: 350.23569

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2(C1CCC(C(C2)I)(C)O)C

Isomeric SMILES

CC(=O)[C@@H]1CC[C@]2([C@H]1CC[C@]([C@H](C2)I)(C)O)C

InChI

InChI=1S/C14H23IO2/c1-9(16)10-4-6-13(2)8-12(15)14(3,17)7-5-11(10)13/h10-12,17H,4-8H2,1-3H3/t10-,11-,12-,13+,14-/m0/s1