(4S)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

More details:

• Systematic name

  (4S)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

• SMILES

  [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@H]2C([2H])([2H])[C@@H]1O)[C@@H](C)CCC(O)=O

• Std. InChi

  InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16+,17-,18-,19+,20-,22-,23-,24+/m0/s1/i8D2,10D2

• Std. InChIKey

  BHQCQFFYRZLCQQ-ONSXQPQQSA-N

• Cite this record

  CSID:115005830, http://www.chemspider.com/Chemical-Structure.115005830.html (accessed 16:33, May 7, 2024)