(E)-but-2-enedioic acid; 17-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol

Systemtic Name: (E)-but-2-enedioic acid; 17-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol Openeye Name: 17-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol; fumaric acid CAS Name: (E)-2-butenedioic acid; 17-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol IUPAC Name: (E)-but-2-enedioic acid; 17-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol Traditional Name: 17-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol; fumaric acid Formula: C24H33NO6 MolecularWeight: 431.52192

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1C(CC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC1C(CC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H29NO2.C4H4O4/c1-3-21-19-18(23)11-17-16-6-4-12-10-13(22)5-7-14(12)15(16)8-9-20(17,19)2;5-3(6)1-2-4(7)8/h5,7,10,15-19,21-23H,3-4,6,8-9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+