(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C23H30O2 MolecularWeight: 338.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C#CC#C)O)C)O

Isomeric SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#CC#C)O)C)O

InChI

InChI=1S/C23H30O2/c1-4-5-11-23(25)14-10-20-18-7-6-16-15-17(24)8-12-21(16,2)19(18)9-13-22(20,23)3/h1,6,17-20,24-25H,7-10,12-15H2,2-3H3/t17-,18+,19-,20-,21-,22-,23-/m0/s1