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

Systemtic Name: (3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-azanyl-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol Openeye Name: (3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-amino-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methyl-2-piperidyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol CAS Name: (3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-amino-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methyl-2-piperidinyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-amino-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol Traditional Name: (3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-amino-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methyl-2-piperidyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol Formula: C27H48N2O MolecularWeight: 416.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)N)C)C)O

Isomeric SMILES

C[C@@H]1CC[C@H](NC1)[C@@H](C)[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)N)C)C)O

InChI

InChI=1S/C27H48N2O/c1-16-5-8-23(29-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29-30H,5-15,28H2,1-4H3/t16-,17-,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1