(Br,Dr,1S,2S,6R,8S,8Ar)-8-(2,2-Dimethyl-1-Oxobutoxy)-1,2,6,7,8,8A-Hexahydro-B,D-Dihydroxy-2,6-Dimethyl-1-Naphthaleneheptanoic Acid

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Properties Simple | Detailed

Formula C25H40O6
IUPAC Name (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 436.582 g·mol−1
Heat of Formation -1339.1 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 565.31 Å 3
Surface Area 423.22 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-(2,2-dimethyl-1-oxobutoxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
  • 1-naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, (1s-(1alpha(betas*,deltas*),2alpha,6beta,8beta,8aalpha))-
  • 1-naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, (betar,deltar,1s,2s,6r,8s,8ar)-
  • bcbcmap01_000237
  • dimethyl-compactin
  • l 654969
  • l-654969
  • sim
  • simvastatin acid
  • simvastatin hydroxy acid
CAS Number(s)
  • 121009-77-6
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