(4aR,4bS,6aS,7S,10aS,10bS,12aR)-3-iodanyl-4a,6a-dimethyl-2-oxidanylidene-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]quinoline-7-carboxylic acid

Systemtic Name: (4aR,4bS,6aS,7S,10aS,10bS,12aR)-3-iodanyl-4a,6a-dimethyl-2-oxidanylidene-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]quinoline-7-carboxylic acid Openeye Name: (4aR,4bS,6aS,7S,10aS,10bS,12aR)-3-iodo-4a,6a-dimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]quinoline-7-carboxylic acid CAS Name: (4aR,4bS,6aS,7S,10aS,10bS,12aR)-3-iodo-4a,6a-dimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]quinoline-7-carboxylic acid IUPAC Name: (4aR,4bS,6aS,7S,10aS,10bS,12aR)-3-iodo-4a,6a-dimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]quinoline-7-carboxylic acid Traditional Name: (4aR,4bS,6aS,7S,10aS,10bS,12aR)-3-iodo-2-keto-4a,6a-dimethyl-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]quinoline-7-carboxylic acid Formula: C20H30INO3 MolecularWeight: 459.36157

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCCC2C(=O)O)CCC4C3(CC(C(=O)N4)I)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC[C@@H]2C(=O)O)CC[C@@H]4[C@@]3(CC(C(=O)N4)I)C

InChI

InChI=1S/C20H30INO3/c1-19-9-8-13-11(12(19)4-3-5-14(19)18(24)25)6-7-16-20(13,2)10-15(21)17(23)22-16/h11-16H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12-,13-,14+,15?,16+,19-,20+/m0/s1