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Beta-Zearalanol (Standard)

CAT: 0804-HY-N6740RSize: 1 EachDry Ice: NoHazardous: No
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Description
(±) -Nornicotine (Standard) is the analytical standard of (±) -Nornicotine. This product is intended for research and analytical applications. (±) -Nornicotine is the primary metabolite of nicotine that is formed through demethylation of nicotine in the genus Nicotiana tabacum L. (±) -Nornicotine is a precursor of tobacco-specific nitrosamine N-nitrosonornicotine. (±) -Nornicotine has detrimental effects to human health[1].
CAS Number
42422-68-4
UNSPSC
12352005
Target
Apoptosis; Reference Standards
Related Pathways
Apoptosis; Others
Field of Research
Metabolic Disease
Smiles
O=C1C2=C(O)C=C(O)C=C2CCCCC[C@H](O)CCC[C@H](C)O1
Molecular Formula
C18H26O5
Molecular Weight
322.40
References & Citations
[1]Yang F, et al. Melatonin alleviates β-zearalenol and HT-2 toxin-induced apoptosis and oxidative stress in bovine ovarian granulosa cells. Environ Toxicol Pharmacol. 2019 May;68:52-60.|[2]Marin DE, et al. Cytotoxic and inflammatory effects of individual and combined exposure of HepG2 cells to zearalenone and its metabolites. Naunyn Schmiedebergs Arch Pharmacol. 2019 Aug;392 (8) :937-947.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

beta-Zearalanol

Beta-Zearalanol is a macrolide.

CAS Number42422-68-4
PubChem CID65434
IUPAC Name(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Molecular FormulaC18H26O5
Molecular Weight322.4
XLogP4.3
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity372
SMILES
C[C@H]1CCC[C@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O
InChI
InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1
InChIKey
DWTTZBARDOXEAM-JSGCOSHPSA-N
Chemical Structure
2D Structure
2D structure of beta-Zearalanol
CAS: 42422-68-4
CID: 65434
Formula: C18H26O5
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass322.17802393
Monoisotopic Mass322.17802393
Topological Polar Surface Area87 Ų
Heavy Atom Count23
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes