Chemical Properties of Lovastatin (CAS 75330-75-5)

Lovastatin

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InChI
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3
InChI Key
PCZOHLXUXFIOCF-UHFFFAOYSA-N
Formula
C24H36O5
SMILES
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
Molecular Weight1
404.54
CAS
75330-75-5
Other Names
  • (S)-2-Methylbutyric 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
  • 2-Methylbutanoic 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 (lovastatin)
  • 6«alpha»-Methylcompactin
  • 8-[2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-3,7-dimethyl-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2-methylbutanoate, (2S)-
  • Altocor
  • Butanoic acid, 2-methyl-, (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, (2S)-
  • Butanoic acid, 2-methyl-, 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-[1«alpha»(R*),3«alpha»,7«beta»,8«beta»(2S*,4S*),8a«beta»]]-
  • Lovalip
  • MK-803
  • MSD 803
  • Mevacor
  • Mevinacor
  • Mevinolin
  • Mevlor
  • Monacolin K
  • Sivlor
Sources

Physical Properties

Property Value Unit Source
Δf -313.69 kJ/mol Joback Calculated Property
Δfgas -1012.69 kJ/mol Joback Calculated Property
Δfus 54.80 kJ/mol Joback Calculated Property
Δvap 104.17 kJ/mol Joback Calculated Property
logPoct/wat 4.20 Crippen Calculated Property
Pc 1222.55 kPa Joback Calculated Property
Tboil 1046.05 K Joback Calculated Property
Tc 1282.23 K Joback Calculated Property
Tfus 599.27 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1234.29 J/mol×K 1046.05 Joback Calculated Property
ΔfusH 36.53 kJ/mol 444.3 NIST
ΔfusH 43.14 kJ/mol 445.5 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-O- (ring) 1
>C=O (ring) 1
>C=O (nonring) 1
-OH (alcohol) 1
=CH- (ring) 3
=C< (ring) 1
-CH2- 3
-CH3 4
>CH- (ring) 7
-CH2- (ring) 3

Similar Compounds

Simvastatin. Lovastatin, trimethylsilyl deriv.. Simvastatin, trimethylsilyl ether. Chrysantenyl 2-methuylbutanoate. Chrysanthenyl hexanoate. Khusinol acetate. cis-Chrysanthenyl pentanoate. (-)-2-Acetoxyamorpha-4,7(11)-diene. 2«beta»-Acetoxyamorpha-4,7(11)-diene. (-)-(1R,2S,6R,10S)-2«alpha»-Acetoxyamorpha-4,7(11)-diene. cis-Chrysanthenyl butanoate. cis-Chrysanthenyl isobutyrate. cis-Chrysanthenyl isovalerate. chrysanthenyl isovalerate II. Chrysanthenyl isovalerate.

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