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

Systemtic Name: (E)-4-[[13-methyl-17-(methylamino)-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[13-methyl-17-(methylamino)-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxo-but-2-enoate CAS Name: (E)-4-[[13-methyl-17-(methylamino)-3-(1-oxopropoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[13-methyl-17-(methylamino)-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[13-methyl-17-(methylamino)-3-propionyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]but-2-enoate Formula: C26H32NO6- MolecularWeight: 454.53538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(C4NC)OC(=O)C=CC(=O)[O-])C

Isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(C4NC)OC(=O)/C=C/C(=O)[O-])C

InChI

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