(2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-[C-(chloromethyl)-N-(2-hydroxyethyl)carbonimidoyl]-2-(3,3-dimethylmorpholin-4-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-[C-(chloromethyl)-N-(2-hydroxyethyl)carbonimidoyl]-2-(3,3-dimethylmorpholin-4-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-[C-(chloromethyl)-N-(2-hydroxyethyl)carbonimidoyl]-2-(3,3-dimethylmorpholin-4-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-[2-chloro-1-(2-hydroxyethylimino)ethyl]-2-(3,3-dimethyl-4-morpholinyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-[C-(chloromethyl)-N-(2-hydroxyethyl)carbonimidoyl]-2-(3,3-dimethylmorpholin-4-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-[C-(chloromethyl)-N-(2-hydroxyethyl)carbonimidoyl]-2-(3,3-dimethylmorpholino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C29H49ClN2O3 MolecularWeight: 509.16396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1C2CC3(C(CCC4C3CCC5(C4CCC5C(=NCCO)CCl)C)CC2O)C)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=NCCO)CCl)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5(C)C)C

InChI

InChI=1S/C29H49ClN2O3/c1-27(2)18-35-14-12-32(27)25-16-29(4)19(15-26(25)34)5-6-20-21-7-8-23(24(17-30)31-11-13-33)28(21,3)10-9-22(20)29/h19-23,25-26,33-34H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,25-,26-,28-,29-/m0/s1