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Monacolin L

CAT: 1596-AR-S10394-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10394-03Size:50 Units
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CAS Number
79394-47-1
Synonyms
(4R,6R) -6- (2- ((1S,2S,6R,8aR) -2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl) ethyl) -4-hydroxytetrahydro-2H-pyran-2-one
Molecular Formula
C19H28O3
Molecular Weight
304.43
API Name
Simvastatin

Chemical Information

Monacolin L

Monacolin L is a polyketide that is 1-ethyl-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene in which one of the methyl hydrogens from the ethyl group is replaced by a 4-hydroxy-6-ketopyran-2-yl group. It has a role as an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, an anticholesteremic drug and an Aspergillus metabolite. It is a member of hexahydronaphthalenes, a polyketide, a secondary alcohol and a member of 2-pyranones.

CAS Number79394-47-1
PubChem CID15294098
IUPAC Name(4R,6R)-6-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
Molecular FormulaC19H28O3
Molecular Weight304.4
XLogP3.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity479
SMILES
C[C@@H]1CC[C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O
InChI
InChI=1S/C19H28O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,9,12-13,15-18,20H,3,6-8,10-11H2,1-2H3/t12-,13+,15-,16-,17+,18+/m1/s1
InChIKey
BKZPCUPKVCPRQW-MHMDBQTNSA-N
Chemical Structure
2D Structure
2D structure of Monacolin L
CAS: 79394-47-1
CID: 15294098
Formula: C19H28O3
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass304.20384475
Monoisotopic Mass304.20384475
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-104051-01Monacolin J
A19457-100Monacolin J 100mg
A19457-25Monacolin J 25mg
A19457-50Monacolin J 50mg
A19457-5Monacolin J 5mg
HFA68503-01Monacolin L acid
A19457-10Monacolin J 10mg
A19457-1Monacolin J 1mg
TRC-M132690-50MGMonacolin L Acid Lithium Salt
A19457-10mM-DMonacolin J 10mM * 1mL in DMSO

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