[(1E)-1-[(8R,9S,10R,13S,14S)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-oxidanylidene-ethyl] 2-methylpropanoate

Systemtic Name: [(1E)-1-[(8R,9S,10R,13S,14S)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [(1E)-1-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(1E)-1-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-oxoethyl] ester IUPAC Name: [(1E)-1-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1E)-2-keto-1-[(8R,9S,10R,13S,14S)-3-keto-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl] ester Formula: C24H32O4 MolecularWeight: 384.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(=C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C=O

Isomeric SMILES

CC(C)C(=O)O/C(=C/1\CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)/C=O

InChI

InChI=1S/C24H32O4/c1-14(2)23(27)28-22(13-25)21-9-8-20-19-6-4-15-12-16(26)5-7-17(15)18(19)10-11-24(20,21)3/h12-14,17-20H,4-11H2,1-3H3/b22-21+/t17-,18+,19+,20-,24-/m0/s1