Zeranol standard

CAT: 0926-FCA33129-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FCA33129-02Size:25 mg

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CAS Number

55331-29-8

MDL Number

MFCD00864182

Smiles

CC1CCCC (CCCCCC2=C (C (=CC (=C2) O) O) C (=O) O1) O

Molecular Formula

C18H26O5

Molecular Weight

322.4 g/mol

Controlled

Yes

Chemical Information

7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one

alpha Zearalanol has been reported in Fusarium graminearum, Fusarium equiseti, and other organisms with data available.

CAS Number	55331-29-8
PubChem CID	22283
IUPAC Name	8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Molecular Formula	C18H26O5
Molecular Weight	322.4
XLogP	4.3
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	372

SMILES

CC1CCCC(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

InChIKey

DWTTZBARDOXEAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55331-29-8

CID: 22283

Formula: C18H26O5

MW: 322.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	322.17802393
Monoisotopic Mass	322.17802393
Topological Polar Surface Area	87 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FZ156789-01	Zeranol
80-1282	Zeranol-HRP
80-1326	Zeranol-HRP
FZ181721	Zeranol-d5, mixture of diastereomers
IFA22030-01	Indanofan standard
50R-R51012	Itraconazole Internal Standard
IM63780-01	Mercaptopurine impurity standard
30-AB70	BSA (Standard Grade)
50R-R51211	Itraconazole Reference Standard
51R-U716002	Vitamin A Reference Standard