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(-)-α-Zearalenol

(-)-α-Zearalenol structure

CAS No:
36455-72-8
Formula:
C18H24O5
Chemical Name:
(-)-α-Zearalenol
Synonyms:
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-,(3S,7R,11E)-;1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-,[3S-(3R*,7S*,11E)]-;(3S,7R,11E)-3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one;trans-Zearalenol;α-Zearalenol;Zearalenol;(-)-α-Zearalenol;40790-12-3
Categories:
Analytical Chemistry > Standard

Description

α-Zearalenol is a Mycotoxin with high affinity for the estrogen receptors (ER),α-Zearalenol is the derivative of zearalenone (ZEN), causes reproductive disorders in animals, due to its xenoestrogenic effects[1].

(-)-α-Zearalenol Basic Attributes

Molecular Weight：

320.38

Exact Mass：

320.38

EC Number：

200-835-2

DSSTox ID：

DTXSID8022402

HScode：

29322090

Characteristics

PSA：

86.99000

XLogP3：

4.17

Density：

1.2±0.1 g/cm3

Melting Point：

169-170 °C

Boiling Point：

599.0±50.0 °C at 760 mmHg

Flash Point：

2℃

Refractive Index：

1.549

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

20/21/22-40-52/53-68/20/21/22-36-11-62-48/20-63-46-45

safety instructions：

36/37-61-16-45-53

Marks：

Xn,T,F

Precautionary statement(s)：

P201-P260-P280-P301 + P312 + P330-P305 + P351 + P338-P308 + P313

Hazard Statements：

H302-H315-H319-H336-H340-H350-H361fd-H371-H373-H412

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P310, P314, P321, P330, P332+P313, P362, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

(-)-α-Zearalenol Use and Manufacturing

The major metabolites of Zearalenone

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