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(R)-Zearalenone

CAT: 0572-TRC-Z270505-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z270505-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1394294-92-8
Hazard Statement
No Data Available
Smiles
C[C@@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1
Molecular Formula
C18 H22 O5
Molecular Weight
318.364
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-/m1/s1
Additionnal Information
IUPAC name: (4R,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione
Shipping Conditions
Room Temperature

Chemical Information

(R)-Zearalenone
CAS Number1394294-92-8
PubChem CID40468642
IUPAC Name(4R,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-/m1/s1
InChIKey
MBMQEIFVQACCCH-QDBLGGKGSA-N
Chemical Structure
2D Structure
2D structure of (R)-Zearalenone
CAS: 1394294-92-8
CID: 40468642
Formula: C18H22O5
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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