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(±) -Geosmin

CAT: 0013-GTR19239482-01Size: 10 mgDry Ice: NoHazardous: No
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Description
(±) -Geosmin (CAS 16423-19-1) is a microbial metabolite responsible for a characteristic earthy odor, widely used in flavor and fragrance research. Its detection serves as a biomarker for cyanobacteria and actinomycetes in environmental studies of soil and water quality, with applications in both in vitro assays and in vivo ecological monitoring.
CAS Number
16423-19-1
Field of Research
Metabolism Research
Smiles
O[C@]12[C@@] (C) (CCCC1) CCC[C@H]2C
Molecular Formula
C12H22O
Molecular Weight
182.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Geosmin

(+)-geosmin is a geosmin. It is an enantiomer of a (-)-geosmin.

CAS Number16423-19-1
PubChem CID15559490
IUPAC Name(4R,4aR,8aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
Molecular FormulaC12H22O
Molecular Weight182.30
XLogP3.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity201
SMILES
C[C@@H]1CCC[C@]2([C@]1(CCCC2)O)C
InChI
InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey
JLPUXFOGCDVKGO-GRYCIOLGSA-N
Chemical Structure
2D Structure
2D structure of (+)-Geosmin
CAS: 16423-19-1
CID: 15559490
Formula: C12H22O
MW: 182.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.30
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass182.167065321
Monoisotopic Mass182.167065321
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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