Sodium (3S,5S)-3,5-dihydroxy-7-[(1R,2R,6R,8R,8aS)-6-hydroxy-2-methyl-8-{[2-(²H₃)methyl(²H₆)butanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate

More details:

• Systematic name

  Sodium (3S,5S)-3,5-dihydroxy-7-[(1R,2R,6R,8R,8aS)-6-hydroxy-2-methyl-8-{[2-(~2~H_3_)methyl(~2~H_6_)butanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate

• SMILES

  [Na+].[2H]C([2H])(C([2H])(C(=O)O[C@@H]1C[C@@H](O)C=C2C=C[C@@H](C)[C@@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]21)C([2H])([2H])[2H])C([2H])([2H])[2H]

• Std. InChi

  InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13?,14-,16+,17+,18+,19-,20-,22-;/m1./s1/i1D3,2D3,4D2,13D;

• Std. InChIKey

  VWBQYTRBTXKKOG-NWEZIIGKSA-M

• Cite this record

  CSID:114566083, http://www.chemspider.com/Chemical-Structure.114566083.html (accessed 06:20, Jun 13, 2024)