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

Systemtic Name: (3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-3-[(2-pentoxyethylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one Openeye Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(2-pentoxyethylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one CAS Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(2-pentoxyethylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(2-pentoxyethylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one Traditional Name: (3R,5S,8R,9S,10S,13S,14S)-3-[(2-amoxyethylamino)methyl]-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCNCC1(CCC2(C(C1)CCC3C2CCC4(C3CCC4=O)C)C)O

Isomeric SMILES

CCCCCOCCNC[C@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C)O

InChI

InChI=1S/C27H47NO3/c1-4-5-6-16-31-17-15-28-19-27(30)14-13-25(2)20(18-27)7-8-21-22-9-10-24(29)26(22,3)12-11-23(21)25/h20-23,28,30H,4-19H2,1-3H3/t20-,21-,22-,23-,25-,26-,27+/m0/s1