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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1(C=CC2C1(CCC3C2CCC4=CC(=O)CCC34)CC)C#C

Isomeric SMILES

CCCCCC(=O)O[C@]1(C=CC2[C@@]1(CCC3C2CCC4=CC(=O)CCC34)CC)C#C

InChI

InChI=1S/C27H36O3/c1-4-7-8-9-25(29)30-27(6-3)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)5-2/h3,15,17-18,21-24H,4-5,7-14,16H2,1-2H3/t21?,22?,23?,24?,26-,27-/m0/s1