2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-bis(oxidanylidene)-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanal

Systemtic Name: 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-bis(oxidanylidene)-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanal Openeye Name: 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanal CAS Name: 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanal IUPAC Name: 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanal Traditional Name: 2-[(8S,9S,10R,13S,14S,17R)-3,11-diketo-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propionaldehyde Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28O3/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)8-9-21(14,2)20(16)19(25)11-22(17,18)3/h8-10,12-13,16-18,20H,4-7,11H2,1-3H3/t13?,16-,17+,18-,20+,21-,22+/m0/s1