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Vibralactone K

CAT: 0013-GTR19228263-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228263-02Size:5 mg
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Description
Vibralactone K is a bioactive small molecule used in life science research. It serves as a valuable tool compound for studying biological mechanisms in both in vitro and in vivo experimental models.
CAS Number
1623786-66-2
Smiles
O[C@H]1[C@]2 ([C@] (C[C@@H]1CC=C (C) C) (COC2=O) [H]) [H]
Molecular Formula
C12H18O3
Molecular Weight
210.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vibralactone K

Vibralactone K is a gamma-lactone.

CAS Number1623786-66-2
PubChem CID131849276
IUPAC Name(3aR,4R,5S,6aS)-4-hydroxy-5-(3-methylbut-2-enyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
Molecular FormulaC12H18O3
Molecular Weight210.27
XLogP1.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity291
SMILES
CC(=CC[C@H]1C[C@@H]2COC(=O)[C@H]2[C@@H]1O)C
InChI
InChI=1S/C12H18O3/c1-7(2)3-4-8-5-9-6-15-12(14)10(9)11(8)13/h3,8-11,13H,4-6H2,1-2H3/t8-,9+,10+,11+/m0/s1
InChIKey
SCJICIQXRZEFQL-LNFKQOIKSA-N
Chemical Structure
2D Structure
2D structure of Vibralactone K
CAS: 1623786-66-2
CID: 131849276
Formula: C12H18O3
MW: 210.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass210.125594432
Monoisotopic Mass210.125594432
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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