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

Systemtic Name: [(8R,9S,10R,13S,17R)-13-ethyl-17-ethynyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate Openeye Name: [(8R,9S,10R,13S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [(8R,9S,10R,13S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [(8R,9S,10R,13S,17R)-13-ethyl-17-ethynyl-3-keto-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2(C#C)OC(=O)C4CCCC4)CCC5=CC(=O)CCC35

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H](C1CC[C@]2(C#C)OC(=O)C4CCCC4)CCC5=CC(=O)CC[C@H]35

InChI

InChI=1S/C27H36O3/c1-3-26-15-13-22-21-12-10-20(28)17-19(21)9-11-23(22)24(26)14-16-27(26,4-2)30-25(29)18-7-5-6-8-18/h2,17-18,21-24H,3,5-16H2,1H3/t21-,22+,23+,24?,26-,27-/m0/s1