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Zearalanone

CAT: 0013-GTR19205212-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205212-01Size:1 mg
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Description
Zearalenone is a Fusarium-derived mycotoxin with potent estrogenic activity, commonly found in contaminated grains. It is widely used as a research tool for studying endocrine disruption, estrogen receptor signaling, and mycotoxin toxicity in both in vitro assays and in vivo models.
CAS Number
5975-78-0
Field of Research
Metabolism Research
Smiles
C[C@H]1CCCC (=O) CCCCCc2cc (O) cc (O) c2C (=O) O1
Molecular Formula
C18H24O5
Molecular Weight
320.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zearalanone

Zearalanone is a macrolide and a member of resorcinols.

CAS Number5975-78-0
PubChem CID108003
IUPAC Name(4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
Molecular FormulaC18H24O5
Molecular Weight320.4
XLogP3.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity408
SMILES
C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI
InChI=1S/C18H24O5/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/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
InChIKey
APJDQUGPCJRQRJ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Zearalanone
CAS: 5975-78-0
CID: 108003
Formula: C18H24O5
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass320.16237386
Monoisotopic Mass320.16237386
Topological Polar Surface Area83.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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