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Monacolin J

CAT: 0127-BUP04419-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04419-06Size:100 mg
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CAS Number
79952-42-4
Synonyms
Lovastatin diol lactone, Antibiotic MB 530A
Purity
=98%
Smiles
C(C[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]2[C@@]3(C(C=C[C@@H]2C)=C[C@H](C)C[C@@H]3O)[H]

Chemical Information

Monacolin J

Monacolin J is a polyketide that is monacolin L bearing an additional hydroxy substituent at position 8. It has a role as an antimicrobial agent, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor and a fungal metabolite. It is a member of hexahydronaphthalenes, a polyketide, a secondary alcohol, a carbobicyclic compound and a member of 2-pyranones. It is functionally related to a monacolin L.

CAS Number79952-42-4
PubChem CID9905162
IUPAC Name(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
Molecular FormulaC19H28O4
Molecular Weight320.4
XLogP2.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity509
SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O
InChI
InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1
InChIKey
ZDFOBOYQVYMVCW-IRUSZSJRSA-N
Chemical Structure
2D Structure
2D structure of Monacolin J
CAS: 79952-42-4
CID: 9905162
Formula: C19H28O4
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass320.19875937
Monoisotopic Mass320.19875937
Topological Polar Surface Area66.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count7
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
MBS5767129Monacolin J
AR-S10394-01Monacolin L
A19457-50Monacolin J 50mg
A19457-5Monacolin J 5mg
A19457-100Monacolin J 100mg
A19457-25Monacolin J 25mg
HFA68503-01Monacolin L acid
A19457-10Monacolin J 10mg
A19457-1Monacolin J 1mg
AR-L07826-01Monacolin L Acid Sodium Salt

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