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

Systemtic Name: 2-azido-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 2-azido-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 2-azido-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 2-azido-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 2-azido-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CN=[N+]=[N-])C)OC

Isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN=[N+]=[N-])C)OC

InChI

InChI=1S/C22H35N3O2/c1-21-10-8-15(27-3)12-14(21)4-5-16-17-6-7-19(20(26)13-24-25-23)22(17,2)11-9-18(16)21/h14-19H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,21-,22-/m0/s1