(3β,17ξ)-7-Oxo(25,26,26,26,27,27,27-²H₇)cholest-5-en-3-yl acetate

More details:

• Systematic name

  (3beta,17xi)-7-Oxo(25,26,26,26,27,27,27-~2~H_7_)cholest-5-en-3-yl acetate

• SMILES

  C([2H])([2H])([2H])C([2H])(C([2H])([2H])[2H])CCC[C@@H](C)C1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](CC4=CC3=O)OC(=O)C [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C([2H])([2H])[2H]

• Std. InChi

  InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23?,24+,25+,27+,28+,29-/m1/s1/i1D3,2D3,18D

• Std. InChIKey

  PMBSWZWCNKVWLV-YFEUGKOASA-N

• Cite this record

  CSID:58784551, http://www.chemspider.com/Chemical-Structure.58784551.html (accessed 14:49, May 21, 2024)