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

Systemtic Name: 1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazino]butan-1-one Formula: C27H46N2O3 MolecularWeight: 446.66574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2CC3(C(CCC4C3CCC5(C4CCC5O)C)CC2O)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)[C@H]2C[C@]3([C@@H](CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5O)C)C[C@@H]2O)C

InChI

InChI=1S/C27H46N2O3/c1-4-5-25(32)29-14-12-28(13-15-29)22-17-27(3)18(16-23(22)30)6-7-19-20-8-9-24(31)26(20,2)11-10-21(19)27/h18-24,30-31H,4-17H2,1-3H3/t18-,19-,20-,21-,22-,23-,24-,26-,27-/m0/s1