(3R,5R)-7-[(1S,2S,6R,8S,8Ar)-2,6-Dimethyl-8-{[(2S)-2-Methylbutanoyl]Oxy}-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl]-3,5-Dihydroxyheptanoic Acid

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Properties Simple | Detailed

Formula C24H38O6
IUPAC Name (3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-[(2s)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 422.555 g·mol−1
Heat of Formation -1360.7 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 535.78 Å 3
Surface Area 397.02 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-[(2s)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-[(2s)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-[(2s)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-[(2s)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
  • 1-naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-
  • 1-naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-, (1s-(1alpha(betas*,deltas*),2alpha,6beta,8beta(r*),8aalpha))-
  • l 154819
  • lovastatin acid
  • lva
  • mevinolinic acid
  • mk 819
  • monacolinic k acid
  • msd 803 acid
  • msd 803 free acid
CAS Number(s)
  • 75225-51-3
  • 76556-02-0
  • 77285-87-1
InChIKey QLJODMDSTUBWDW-BXMDZJJMSA-N
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