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

Systemtic Name: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-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,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-keto-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C25H34O3 MolecularWeight: 382.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)OC(=O)C(C)(C)C)CCC4=CC(=O)CCC34

Isomeric SMILES

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

InChI

InChI=1S/C25H34O3/c1-6-25(28-22(27)23(2,3)4)14-12-21-20-9-7-16-15-17(26)8-10-18(16)19(20)11-13-24(21,25)5/h1,15,18-21H,7-14H2,2-5H3/t18-,19+,20+,21-,24-,25-/m0/s1