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

More details:

• Systematic name

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

• SMILES

  [Na+].[2H]C([2H])([2H])[C@@H](CC)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

• 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-;/m0./s1/i2D3;

• Std. InChIKey

  VWBQYTRBTXKKOG-XGTQQNHGSA-M

• Cite this record

  CSID:114395153, http://www.chemspider.com/Chemical-Structure.114395153.html (accessed 05:24, Jun 1, 2024)