Guaiol

CAT: 0931-TN1716-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1716-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

489-86-1

Target

Parasite, Antibacterial

Related Pathways

Microbiology/Virology

Purity

0.9999

Bioactivity

Guaiol is a natural product with antibacterial activity that inhibits B. subtilis, E. coli, and Leishmania donovani.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Guaiol

Guaiol is a guaiane sesquiterpenoid.

CAS Number	489-86-1
PubChem CID	227829
IUPAC Name	2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
Molecular Formula	C15H26O
Molecular Weight	222.37
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	301

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

CAS: 489-86-1

CID: 227829

Formula: C15H26O

MW: 222.37

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	222.37
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449
Monoisotopic Mass	222.198365449
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T32019	Guanyl-damme
T126216-01	1α,7α,10αH-Guaia-4,11-dien-3-one
TN6817-01	1αH,5αH-guaia-6-ene-4β,10β-diol

Alternative Products

Catalog	Name
AB3219	Guaiol
sc-506189D	(-) -Guaiol
HY-N3980R	Guaiol (Standard)
AR-G01630-01	Guaiol-13C-d3

Guaiol

Chemical Information

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