2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanal

Systemtic Name: 2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanal Openeye Name: 2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde CAS Name: 2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde IUPAC Name: 2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde Traditional Name: 2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-acetaldehyde Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)C=O)C

Isomeric SMILES

CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1C(=O)C=O)C

InChI

InChI=1S/C22H30O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,12-13,16-19,21H,3-9,11H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1