(8R,9S,10R,13S,14S,16Z)-16-[[4-(3-imidazol-1-ylpropoxy)-3-methoxy-phenyl]methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione

Systemtic Name: (8R,9S,10R,13S,14S,16Z)-16-[[4-(3-imidazol-1-ylpropoxy)-3-methoxy-phenyl]methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione Openeye Name: (8R,9S,10R,13S,14S,16Z)-16-[[4-(3-imidazol-1-ylpropoxy)-3-methoxy-phenyl]methylene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione CAS Name: (8R,9S,10R,13S,14S,16Z)-16-[[4-[3-(1-imidazolyl)propoxy]-3-methoxyphenyl]methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione IUPAC Name: (8R,9S,10R,13S,14S,16Z)-16-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione Traditional Name: (8R,9S,10R,13S,14S,16Z)-16-[4-(3-imidazol-1-ylpropoxy)-3-methoxy-benzylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-quinone Formula: C33H40N2O4 MolecularWeight: 528.6817

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C/C5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)/C4=O)C

InChI

InChI=1S/C33H40N2O4/c1-32-11-9-25(36)20-24(32)6-7-26-27(32)10-12-33(2)28(26)19-23(31(33)37)17-22-5-8-29(30(18-22)38-3)39-16-4-14-35-15-13-34-21-35/h5,8,13,15,17-18,20-21,26-28H,4,6-7,9-12,14,16,19H2,1-3H3/b23-17-/t26-,27+,28+,32+,33+/m1/s1