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β-Zearalanol

β-Zearalanol structure

CAS No:
42422-68-4
Formula:
C18H26O5
Chemical Name:
β-Zearalanol
Synonyms:
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-,(3S,7S)-;1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-,[3S-(3R*,7R*)]-;(3S,7S)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one;Taleranol;P 1560 (pharmaceutical);P 1560;β-Zearalanol;β-Zeranol;β-Zearanol;(+)-β-Zearalanol;21307-28-8
Categories:
Analytical Chemistry > Standard

Description

Beta-zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].

Beta-Zearalanol is a macrolide.

β-Zearalanol Basic Attributes

Molecular Weight：

322.4

Exact Mass：

322.40

EC Number：

200-835-2

UNII：

HUN219N434

DSSTox ID：

DTXSID3022532

Characteristics

PSA：

XLogP3：

3.86

Density：

1.2±0.1 g/cm3

Melting Point：

156-158 °C

Boiling Point：

576.0±50.0 °C at 760 mmHg

Flash Point：

2℃

Refractive Index：

1.536

Storage Conditions：

−20°C

Collision Cross Section：

175.33 Å² [M+H-H2O]+

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

60-36/37/38-36-20/21/22-11

safety instructions：

53-36/37/39-45-36/37-16

Marks：

T,Xn,F

Precautionary statement(s)：

P201-P261-P305 + P351 + P338-P308 + P313

Hazard Statements：

H315-H319-H335-H360

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, 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.

Drug Information

MeSH Entry Terms：

beta-zearalanol

β-Zearalanol Use and Manufacturing

Animal growth promotant. Anabolic.Controlled substance.

Computed Properties

Molecular Weight:322.4
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:322.17802393
Monoisotopic Mass:322.17802393
Topological Polar Surface Area:87
Heavy Atom Count:23
Complexity:372
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes