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Geranyl linalool

CAT: 0127-BUP13751-04Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13751-04Size:200 mg
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CAS Number
1113-21-9
Purity
=98%
Smiles
CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C

Chemical Information

Geranyllinalool

Geranyllinalool is a diterpenoid that is linalool in which one of the terminal methyl hydrogens is substituted by a geranyl group (the 6E,10E-geoisomer). It has a role as a metabolite, a fragrance and an EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor. It is a diterpenoid and a tertiary alcohol.

CAS Number1113-21-9
PubChem CID5365872
IUPAC Name(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
Molecular FormulaC20H34O
Molecular Weight290.5
XLogP6.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity394
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C
InChI
InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+
InChIKey
IQDXAJNQKSIPGB-HQSZAHFGSA-N
Chemical Structure
2D Structure
2D structure of Geranyllinalool
CAS: 1113-21-9
CID: 5365872
Formula: C20H34O
MW: 290.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass290.260965704
Monoisotopic Mass290.260965704
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T84220-01Geranyl linalool
451155Geranyl Linalool O-β-D-Glucoside
278417-01Geranyl linalool discontinued. See 012776
TRC-G367740-250MGGeranyl Linalool O-beta-D-Glucoside
281324-01Linalool

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