N-BENZYL-7-[1,2,6,7,8,8A]-(R)-HEXAHYDRO-2-(S),6-(R)-DIMETHYL-8-(S)-[[2,2-DIMETHYLBUTANOYL]-OXY]-[1-(S)-NAPHTYL]-2,4-HEPTANOIC_ACID_AMIDE
Compound with spectra: 1 NMR
![N-BENZYL-7-[1,2,6,7,8,8A]-(R)-HEXAHYDRO-2-(S),6-(R)-DIMETHYL-8-(S)-[[2,2-DIMETHYLBUTANOYL]-OXY]-[1-(S)-NAPHTYL]-2,4-HEPTANOIC_ACID_AMIDE](/api/compound/5U01ZpPiDi.png?ph=true&h=300&w=458 "N-BENZYL-7-[1,2,6,7,8,8A]-(R)-HEXAHYDRO-2-(S),6-(R)-DIMETHYL-8-(S)-[[2,2-DIMETHYLBUTANOYL]-OXY]-[1-(S)-NAPHTYL]-2,4-HEPTANOIC_ACID_AMIDE")
| SpectraBase Compound ID | 5U01ZpPiDi |
|---|---|
| InChI | InChI=1S/C32H43NO3/c1-6-32(4,5)31(35)36-28-21-23(2)20-26-19-18-24(3)27(30(26)28)16-12-7-8-13-17-29(34)33-22-25-14-10-9-11-15-25/h7-11,13-15,17-20,23-24,27-28,30H,6,12,16,21-22H2,1-5H3,(H,33,34)/b8-7+,17-13-/t23-,24-,27-,28-,30-/m0/s1 |
| InChIKey | KPNGUFBKMBJBAZ-MAHWCOENSA-N |
| Mol Weight | 489.7 g/mol |
| Molecular Formula | C32H43NO3 |
| Exact Mass | 489.324294 g/mol |
| Enantiomer InChIKey | KPNGUFBKMBJBAZ-SVWRPRNMSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
SIMVASTATIN-HYDROXY-ACID
Lovestatin
Pravastatin sodium salt
Pravastatin sodium salt hydrate
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid methyl ester
JYXVKILHXRDDPM-AZHSVKLLSA-N
NCKMUHPTJJCVPV-YUDIKBHMSA-N
Mevastatin, mono-TMS
GUAIANOLIDE,(3)
11,13-Dihydro-eremanthin
| Title | Journal or Book | Year |
|---|---|---|
| Structural elucidation of an unknown Simvastatin by-product in industrial synthesis starting from Lovastatin | Journal of Pharmaceutical and Biomedical Analysis | 2007 |