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(+/-) -Geosmin

CAT: 0926-FR162423-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FR162423-01Size:5 mg
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CAS Number
16423-19-1
Synonyms
(4S,4αS,8αR) -4,8α-Dimethyl-1,2,3,4,5,6,7, -octahydronaphthalen-4α-ol
MDL Number
MFCD00055578
Smiles
O[C@]12[C@@] (C) (CCCC1) CCC[C@H]2C
Molecular Formula
C12H22O
Molecular Weight
182.3 g/mol
Controlled
No

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

Alternative Products

CatalogName
TRC-G364605-10MG(+)-Geosmin
TRC-G364600-100MGGeosmin
TN8215-01(±) -Geosmin
TRC-G364502-500MGrac Geosmin-d3
166233Rac Geosmin
sc-490104Geosmin -13C2
164278Geosmin-13C2
AR-G01258-01Geosmin-d3
AR-G02207-01Rac-Geosmin
MBS1462225-01Recombinant Streptomyces coelicolor Germacradienol/geosmin synthase (cyc2), partial

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