1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name: 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Formula: C26H38O2 MolecularWeight: 382.57872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(C#CC5CC5)O)C)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@](C4)(C#CC5CC5)O)C)C

InChI

InChI=1S/C26H38O2/c1-17(27)21-8-9-22-20-7-6-19-16-26(28,13-10-18-4-5-18)15-14-24(19,2)23(20)11-12-25(21,22)3/h18-23,28H,4-9,11-12,14-16H2,1-3H3/t19-,20+,21-,22+,23+,24+,25-,26-/m1/s1