Chemical Component Summary

Name(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
Identifiers(6R,8R,9S,10R,13S,14S)-6-but-2-ynoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
FormulaC23 H28 O3
Molecular Weight352.467
TypeNON-POLYMER
Isomeric SMILESCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C
InChIInChI=1S/C23H28O3/c1-4-5-12-26-20-14-16-17-6-7-21(25)23(17,3)11-9-18(16)22(2)10-8-15(24)13-19(20)22/h8,10,13,16-18,20H,6-7,9,11-12,14H2,1-3H3/t16-,17-,18-,20+,22+,23-/m0/s1
InChIKeyGNDYBZKXORBCFO-KVAKACLVSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count6
Bond Count57
Aromatic Bond Count0

Related Resource References

Resource NameReference
Pharos CHEMBL2179109
PubChem 60156307
ChEMBL CHEMBL2179109