(3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol

Systemtic Name: (3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol Openeye Name: (3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol CAS Name: (3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol IUPAC Name: (3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol Traditional Name: (3S,4S,5R,8S,9S,10R,13S,14S,17S)-3-amoxy-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol Formula: C28H51NO2 MolecularWeight: 433.71004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1CCC2(C(C1O)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C

Isomeric SMILES

CCCCCO[C@H]1CC[C@]2([C@H]([C@@H]1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)N(C)C)C)C

InChI

InChI=1S/C28H51NO2/c1-7-8-9-18-31-25-15-17-28(4)23-14-16-27(3)21(19(2)29(5)6)12-13-22(27)20(23)10-11-24(28)26(25)30/h19-26,30H,7-18H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27+,28+/m0/s1