6-(17-methoxy-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)hex-5-yn-2-one

Systemtic Name: 6-(17-methoxy-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)hex-5-yn-2-one Openeye Name: 6-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)hex-5-yn-2-one CAS Name: 6-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)-5-hexyn-2-one IUPAC Name: 6-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)hex-5-yn-2-one Traditional Name: 6-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)hex-5-yn-2-one Formula: C26H40O3 MolecularWeight: 400.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC#CC1(CCC2(C(C1)CCC3C2CCC4(C3CCC4OC)C)C)O

Isomeric SMILES

CC(=O)CCC#CC1(CCC2(C(C1)CCC3C2CCC4(C3CCC4OC)C)C)O

InChI

InChI=1S/C26H40O3/c1-18(27)7-5-6-13-26(28)16-15-24(2)19(17-26)8-9-20-21-10-11-23(29-4)25(21,3)14-12-22(20)24/h19-23,28H,5,7-12,14-17H2,1-4H3