(3S,5R,10S,13R,14R,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-14-(tritritiomethyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

Systemtic Name: (3S,5R,10S,13R,14R,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-14-(tritritiomethyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol Openeye Name: (3S,5R,10S,13R,14R,15R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-14-(tritritiomethyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol CAS Name: (3S,5R,10S,13R,14R,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-14-(tritritiomethyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol IUPAC Name: (3S,5R,10S,13R,14R,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-14-(tritritiomethyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol Traditional Name: (3S,5R,10S,13R,14R,15R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-14-(tritritiomethyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol Formula: C30H52O2 MolecularWeight: 450.757008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CC(C2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)O

Isomeric SMILES

[3H]C([3H])([3H])[C@@]12[C@@H](C[C@@H]([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)[C@H](C)CCCC(C)C)O

InChI

InChI=1S/C30H52O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h19-20,23-26,31-32H,9-18H2,1-8H3/t20-,23-,24+,25+,26-,28-,29-,30-/m1/s1/i8T3