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Neosolaniol

Neosolaniol structure

CAS No:
36519-25-2
Formula:
C19H26O8
Chemical Name:
Neosolaniol
Synonyms:
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-,4,15-diacetate,(3α,4β,8α)-;Neosolaniol;Solaniol (sesquiterpene);Solaniol;Neozolaniol;NSC 197212;35320-66-2;38738-57-7;145427-90-3
Categories:
Analytical Chemistry > Standard

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Description

Neosolaniol is a type A trichothecene mycotoxin from Fusarium sp[1]. Neosolaniol evokes robust anorectic response[2].

Neosolaniol Basic Attributes

Molecular Weight：

366.41

Exact Mass：

382.40

NSC Number：

320013|197212

HScode：

29329990

Characteristics

PSA：

114.82000

XLogP3：

-0.07

Density：

1.4±0.1 g/cm3

Melting Point：

171.5°C

Boiling Point：

515.9±50.0 °C at 760 mmHg

Flash Point：

2 °C

Refractive Index：

1.578

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

26/27/28-36-20/21/22-11

safety instructions：

22-36/37/39-45-36/37-16-26

RTECS Number：

YD0080000

Marks：

T+,Xn,F

Precautionary statement(s)：

P260-P264-P280-P284-P301 + P310-P302 + P350

Hazard Statements：

H300 + H310 + H330

GHS Classification：

|Danger|H300 (97.44%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3 alpha hydroxy-4 beta,8 alpha,15-triacetoxy-12,13-epoxytrichothec-9-ene

Computed Properties

Molecular Weight:382.4
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:382.16276778
Monoisotopic Mass:382.16276778
Topological Polar Surface Area:115
Heavy Atom Count:27
Complexity:719
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes