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Decarestrictin M

CAT: 0804-HY-N14783Size: 1 EachDry Ice: NoHazardous: No
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Description
Decarestrictin M is a decanolactone that can be isolated from penicillium strains. Decarestrictin M is an inhibitor of cholesterol biosynthesis[1].
CAS Number
144161-38-6
UNSPSC
12352005
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Smiles
CC(O)C[C@H]1[C@]2([H])[C@H](C[C@@](CC(O1)=O)([H])O2)O
Molecular Formula
C10H16O5
Molecular Weight
216.23
References & Citations
[1]Riatto V B, et al. Fifteen years of biological and synthetic studies of decarestrictine family. Tetrahedron, 2008, 64 (10) : 2279-2300.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Decarestrictin M
CAS Number144161-38-6
PubChem CID9859216
IUPAC Name(1S,2S,6R,8S)-8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one
Molecular FormulaC10H16O5
Molecular Weight216.23
XLogP-0.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity254
SMILES
CC(C[C@H]1[C@@H]2[C@H](C[C@@H](O2)CC(=O)O1)O)O
InChI
InChI=1S/C10H16O5/c1-5(11)2-8-10-7(12)3-6(14-10)4-9(13)15-8/h5-8,10-12H,2-4H2,1H3/t5?,6-,7+,8+,10+/m1/s1
InChIKey
ACOYLHVUGSEGKA-CFMZZVMJSA-N
Chemical Structure
2D Structure
2D structure of Decarestrictin M
CAS: 144161-38-6
CID: 9859216
Formula: C10H16O5
MW: 216.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.23
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass216.09977361
Monoisotopic Mass216.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count15
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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