methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-10,13-dimethyl-11-(3-methylbutylamino)-2-oxidanyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-10,13-dimethyl-11-(3-methylbutylamino)-2-oxidanyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-11-(isopentylamino)-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester IUPAC Name: methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-11-(isoamylamino)-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Formula: C28H49NO4 MolecularWeight: 463.69296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCC2CCC3C4CCC(C4(CC(C3C2(C1)C)NCCC(C)C)C)C(=O)OC)O

Isomeric SMILES

CCO[C@@]1(CC[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(C[C@H]([C@@H]3[C@]2(C1)C)NCCC(C)C)C)C(=O)OC)O

InChI

InChI=1S/C28H49NO4/c1-7-33-28(31)14-12-19-8-9-20-21-10-11-22(25(30)32-6)26(21,4)16-23(29-15-13-18(2)3)24(20)27(19,5)17-28/h18-24,29,31H,7-17H2,1-6H3/t19-,20-,21-,22+,23+,24+,26-,27-,28+/m0/s1