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Guaiol

CAT: 0013-GTR19266448-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266448-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Guaiol is a natural product with antibacterial activity that inhibits B. subtilis, E. coli, and Leishmania donovani.
CAS Number
489-86-1
Field of Research
Infectious Disease & Virology
Purity
99.99% (May vary between batches)
Smiles
C[C@@H]1C2=C ([C@@H] (C) CC[C@@H] (C (C) (C) O) C2) CC1
Molecular Formula
C15H26O
Molecular Weight
222.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Guaiol

Guaiol is a guaiane sesquiterpenoid.

CAS Number489-86-1
PubChem CID227829
IUPAC Name2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
Molecular FormulaC15H26O
Molecular Weight222.37
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity301
SMILES
C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKey
TWVJWDMOZJXUID-SDDRHHMPSA-N
Chemical Structure
2D Structure
2D structure of Guaiol
CAS: 489-86-1
CID: 227829
Formula: C15H26O
MW: 222.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.37
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass222.198365449
Monoisotopic Mass222.198365449
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity301
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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