2-[(8R,9S,13S,14S,17R)-3,3-dimethoxy-13-methyl-17-oxidanyl-14,15-ditritio-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanenitrile

Systemtic Name: 2-[(8R,9S,13S,14S,17R)-3,3-dimethoxy-13-methyl-17-oxidanyl-14,15-ditritio-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanenitrile Openeye Name: 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3,3-dimethoxy-13-methyl-14,15-ditritio-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetonitrile CAS Name: 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3,3-dimethoxy-13-methyl-14,15-ditritio-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetonitrile IUPAC Name: 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3,3-dimethoxy-13-methyl-14,15-ditritio-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetonitrile Traditional Name: 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3,3-dimethoxy-13-methyl-14,15-ditritio-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetonitrile Formula: C22H33NO3 MolecularWeight: 363.518539

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(CC#N)O)CCC4=C3CCC(C4)(OC)OC

Isomeric SMILES

[3H]C1C[C@]([C@@]2([C@@]1([C@@H]3CCC4=C([C@H]3CC2)CCC(C4)(OC)OC)[3H])C)(CC#N)O

InChI

InChI=1S/C22H33NO3/c1-20-9-6-17-16-7-11-22(25-2,26-3)14-15(16)4-5-18(17)19(20)8-10-21(20,24)12-13-23/h17-19,24H,4-12,14H2,1-3H3/t17-,18-,19+,20+,21-/m1/s1/i8T,19T/t8?,17-,18-,19+,20+,21-