Compactin

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Properties Simple | Detailed

Formula C23H34O5
IUPAC Name [(1s,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
Molecular Mass 390.513 g·mol−1
Heat of Formation -1076.4 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 485.8 Å 3
Surface Area 364.25 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-((2r,4r)-tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthyl (s)-2-methylbutyrate
  • (2s)-2-methylbutanoic acid [(1s,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-2-tetrahydropyranyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • (2s)-2-methylbutyric acid [(1s,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • 7-(1,2,6,7,8,8a-hexahydro-2-methyl-8-(2-methylbutyryloxy)naphthyl)-3-hydroxyheptan-5-olide
  • [(1s,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • [(1s,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • [(1s,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • butanoic acid, 2-methyl-, (1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2s)-
  • butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1s-(1-alpha(r*),7-beta,8-beta(2s*,4s*),8a-beta))-
  • cs 500
  • ks-1085
  • mevastatin
  • ml-236b
  • smp1_000077
CAS Number(s)
  • 58948-09-7
  • 60478-65-1
  • 73573-88-3
InChIKey AJLFOPYRIVGYMJ-INTXDZFKSA-N
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