[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [2,4,6-tris(iodanyl)phenyl]methyl carbonate

Systemtic Name: [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [2,4,6-tris(iodanyl)phenyl]methyl carbonate Openeye Name: [(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2,4,6-triiodophenyl)methyl carbonate CAS Name: carbonic acid [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2,4,6-triiodophenyl)methyl ester IUPAC Name: [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2,4,6-triiodophenyl)methyl carbonate Traditional Name: carbonic acid [(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2,4,6-triiodobenzyl) ester Formula: C35H49I3O3 MolecularWeight: 898.47517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OCC5=C(C=C(C=C5I)I)I)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OCC5=C(C=C(C=C5I)I)I)C)C

InChI

InChI=1S/C35H49I3O3/c1-21(2)7-6-8-22(3)28-11-12-29-26-10-9-23-17-25(13-15-34(23,4)30(26)14-16-35(28,29)5)41-33(39)40-20-27-31(37)18-24(36)19-32(27)38/h9,18-19,21-22,25-26,28-30H,6-8,10-17,20H2,1-5H3/t22-,25+,26?,28-,29?,30?,34+,35-/m1/s1