(+)-Simvastatin

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Properties Simple | Detailed

Formula C25H38O5
IUPAC Name [(1s,3r,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Molecular Mass 418.566 g·mol−1
Heat of Formation -1082.4 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 545.36 Å 3
Surface Area 406.46 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,7s,8s,8ar)-8-{2-[(2r,4r)-4-hydroxy-6-oxotetrahydro-2h-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
  • 2,2-dimethylbutanoic acid (1s,3r,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2r,4r)-tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenyl ester
  • 2,2-dimethylbutanoic acid [(1s,3r,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-2-tetrahydropyranyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • 2,2-dimethylbutyric acid [(1s,3r,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • 2,2-dimethylbutyric acid, 8-ester with (4r,6r)-6-(2-((1s,2s,6r,8s,8ar)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2h-pyran-2-one
  • [(1s,3r,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
  • [(1s,3r,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
  • [(1s,3r,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
  • bb_nc-1255
  • bcbcmap01_000007
  • bpbio1_001001
  • butanoic acid, 2,2-dimethyl-, (1s,3r,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2r,4r)-tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthalenyl ester
  • butanoic acid, 2,2-dimethyl-, (1s,3r,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2r,4r)-tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenyl ester
  • butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1s-(1alpha,3alpha,7beta,8beta(2s*,4s*),8abeta))-
  • cholestat
  • coledis
  • colemin
  • corolin
  • d00434
  • denan
  • drg-0320
  • ks-1113
  • l 644128-000u
  • labistatin
  • lipex
  • lipovas
  • lodal s
  • lodales
  • ls-46264
  • medipo
  • mk 0733
  • mk-0733
  • mk-733
  • nivelipol
  • pantok
  • rendapid
  • simovil
  • simvastatin
  • simvastatin (jan/usp/inn)
  • simvastatina [spanish]
  • simvastatinum [latin]
  • sinvacor
  • sivastin
  • synvinolin
  • tnp00259
  • vasotenal
  • vytorin
  • zocor
  • zocord
CAS Number(s)
  • 79902-63-9
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