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O-Geranylconiferyl alcohol

CAT: 0926-EFA35009-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-EFA35009-01Size:10 mg
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CAS Number
129350-09-0
MDL Number
MFCD23103639
Smiles
CC (=CCCC (=CCOC1=C (C=C (C=C1) C=CCO) OC) C) C
Molecular Formula
C20H28O3
Molecular Weight
316.4 g/mol
Controlled
No

Chemical Information

O-geranylconiferyl alcohol

structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant

CAS Number129350-09-0
PubChem CID6439279
IUPAC Name(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol
Molecular FormulaC20H28O3
Molecular Weight316.4
XLogP5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CC(=CCC/C(=C/COC1=C(C=C(C=C1)/C=C/CO)OC)/C)C
InChI
InChI=1S/C20H28O3/c1-16(2)7-5-8-17(3)12-14-23-19-11-10-18(9-6-13-21)15-20(19)22-4/h6-7,9-12,15,21H,5,8,13-14H2,1-4H3/b9-6+,17-12+
InChIKey
UJQXYSRVSXKEES-YIERNNEGSA-N
Chemical Structure
2D Structure
2D structure of O-geranylconiferyl alcohol
CAS: 129350-09-0
CID: 6439279
Formula: C20H28O3
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass316.20384475
Monoisotopic Mass316.20384475
Topological Polar Surface Area38.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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