(E)-4-[[3-acetyloxy-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-acetyloxy-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-acetoxy-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-acetyloxy-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-acetyloxy-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-acetoxy-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-keto-but-2-enoic acid Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(C4N(C)C)OC(=O)C=CC(=O)O)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(C4N(C)C)OC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C26H33NO6/c1-15(28)32-17-6-8-18-16(13-17)5-7-20-19(18)11-12-26(2)21(20)14-22(25(26)27(3)4)33-24(31)10-9-23(29)30/h6,8-10,13,19-22,25H,5,7,11-12,14H2,1-4H3,(H,29,30)/b10-9+