Products for Research Use Only

Zearalenone 500mg

CAT: 0628-A13740-500Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A13740-500Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
17924-92-4

Chemical Information

Zearalenone

Zearalenone is a macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. It has a role as a fungal metabolite and a mycoestrogen. It is a macrolide and a member of resorcinols.

CAS Number17924-92-4
PubChem CID5281576
IUPAC Name(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Molecular FormulaC18H22O5
Molecular Weight318.4
XLogP3.6
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity445
SMILES
C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1
InChI
InChI=1S/C18H22O5/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/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
InChIKey
MBMQEIFVQACCCH-QBODLPLBSA-N
Chemical Structure
2D Structure
2D structure of Zearalenone
CAS: 17924-92-4
CID: 5281576
Formula: C18H22O5
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass318.14672380
Monoisotopic Mass318.14672380
Topological Polar Surface Area83.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes