1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(aminomethyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(aminomethyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(aminomethyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(aminomethyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(aminomethyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(aminomethyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Formula: C22H37NO2 MolecularWeight: 347.53468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(CN)O)C)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(CN)O)C)C

InChI

InChI=1S/C22H37NO2/c1-14(24)17-6-7-18-16-5-4-15-12-22(25,13-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,25H,4-13,23H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+,22+/m0/s1