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Zearalanone

Zearalanone structure

CAS No:
5975-78-0
Formula:
C18H24O5
Chemical Name:
Zearalanone
Synonyms:
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10,11,12-octahydro-14,16-dihydroxy-3-methyl-,(3S)-;1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10,11,12-octahydro-14,16-dihydroxy-3-methyl-,(S)-;β-Resorcylic acid,6-(10-hydroxy-6-oxoundecyl)-,μ-lactone;(3S)-3,4,5,6,9,10,11,12-Octahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione;Zearalanone;(S)-Zearalanone;P 1502;Zanone;(-)-Zearalanone;21307-27-7
Categories:
Analytical Chemistry > Standard

Description

Zearalenone is a nonsteroidal estrogenic mycotoxin produced by Fusarium species, which colonizes several grains. Zearalenone has low acute toxicity and carcinogenicity. Due to its agonistic effect on the estrogen receptor, Zearalenone exhibits distinct estrogenic and anabolic properties in several animal species, resulting in severe effects on the reproductive system[1].

Zearalanone is a member of resorcinols and a macrolide.

Zearalanone Basic Attributes

Molecular Weight：

320.38

Exact Mass：

320.38

UNII：

133DU2F2VS

DSSTox ID：

DTXSID6022395

HScode：

29322090

Characteristics

PSA：

83.8

XLogP3：

3.45

Density：

1.1±0.1 g/cm3

Melting Point：

191-193 °C

Boiling Point：

576.8±50.0 °C at 760 mmHg

Flash Point：

2℃

Refractive Index：

1.526

Storage Conditions：

−20°C

Collision Cross Section：

178.19 Å² [M-H]-

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

20/21/22-36/37/38-40-36-11

safety instructions：

22-26-36-36/37-16

Marks：

Xn,F

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335-H351

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Zearalanone Use and Manufacturing

A secondary metabolite

Computed Properties

Molecular Weight:320.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:320.16237386
Monoisotopic Mass:320.16237386
Topological Polar Surface Area:83.8
Heavy Atom Count:23
Complexity:408
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes