[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate Openeye Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate CAS Name: N-ethynylcarbamic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate Traditional Name: N-ethynylcarbamic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)NC#C)CCC4=CC(=O)CCC34C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)NC#C)CCC4=CC(=O)CC[C@]34C

InChI

InChI=1S/C22H29NO3/c1-4-23-20(25)26-19-8-7-17-16-6-5-14-13-15(24)9-11-21(14,2)18(16)10-12-22(17,19)3/h1,13,16-19H,5-12H2,2-3H3,(H,23,25)/t16-,17-,18-,19-,21-,22-/m0/s1