(E)-but-2-enedioic acid; 10,13-dimethyl-17-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Systemtic Name: (E)-but-2-enedioic acid; 10,13-dimethyl-17-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol Openeye Name: 10,13-dimethyl-17-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol; fumaric acid CAS Name: (E)-2-butenedioic acid; 10,13-dimethyl-17-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol IUPAC Name: (E)-but-2-enedioic acid; 10,13-dimethyl-17-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol Traditional Name: 10,13-dimethyl-17-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol; fumaric acid Formula: C24H37NO6 MolecularWeight: 435.55368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CC(C4NC)O)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC12CCC(CC1=CCC3C2CCC4(C3CC(C4NC)O)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H33NO2.C4H4O4/c1-19-8-6-13(22)10-12(19)4-5-14-15(19)7-9-20(2)16(14)11-17(23)18(20)21-3;5-3(6)1-2-4(7)8/h4,13-18,21-23H,5-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+