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β-Zearalenol

β-Zearalenol structure

CAS No:
71030-11-0
Formula:
C18H24O5
Chemical Name:
β-Zearalenol
Synonyms:
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-,(3S,7S,11E)-;1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-,[3S-(3R*,7R*,11E)]-;(3S,7S,11E)-3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one;β-Zearalenol;β-trans-Zearalenol;(-)-β-Zearalenol
Categories:
Analytical Chemistry > Standard

Description

β-Zearalenol is a non-steroidal estrogenic mycotoxin synthesized by Fusarium species. β-Zearalenol potentially influences transcription and effects gene expression on translational level[1].

β-Zearalenol Basic Attributes

Molecular Weight：

320.38

Exact Mass：

320.38

EC Number：

200-835-2

DSSTox ID：

DTXSID8022533

HScode：

29322090

Characteristics

PSA：

86.99000

XLogP3：

3.37140

Density：

1.174g/cm3

Melting Point：

173-174 °C

Boiling Point：

599ºC at 760 mmHg

Flash Point：

2℃

Refractive Index：

1.548

Storage Conditions：

−20°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

20/21/22-40-52/53-68/20/21/22-50-36-22-11

safety instructions：

36/37-61-36-16

Marks：

Xn,N,F

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302-H312-H319-H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, 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.

β-Zearalenol Use and Manufacturing

The more active Zearalenone (Z270500) metabolite.

Computed Properties

Molecular Weight:320.4
XLogP3:4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:320.16237386
Monoisotopic Mass:320.16237386
Topological Polar Surface Area:87
Heavy Atom Count:23
Complexity:408
Defined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes