Trichodermin supplier | CasNO.4682-50-2

Name
Trichoderonin
EINECS
CAS No. 4682-50-2
Article Data2
CAS DataBase
Density 1.19g/cm³
Solubility
Melting Point 46°, 58-60° (Colvin)
Formula C₁₇H₂₄O₄
Boiling Point 371.2°Cat760mmHg
Molecular Weight 292.375
Flash Point 161°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms CAS# 4682-50-2;Trichodermin;(2S,5R,10R)-5,5a,8-Trimethyl-2,3,4,5,5a,6,7,9a-octahydrospiro[2,5-methano-1-benzoxepine-10,2-oxiran]-4-yl acetate;12,13-Epoxytrichothec-9-en-4-ol acetate;Trichothec-9-en-4.beta.-ol, 12, 13-epoxy-, acetate;Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4beta)-;Trichothec-9-en-4-ol,12,13-epoxy-,acetate,(4a)-;Trichothec-9-en-4beta-ol, 12,13-epoxy-,, acetate (8CI);Trichothec-9-en-4.beta.-ol, 12, 13-epoxy-,, acetate;Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4.beta.)-;Trichothec-9-en-4-ol, 12,13-epoxy-, acetate;Trichoderonin;WG 696;
PSA 48.06000
LogP 2.61090

Trichodermin Specification

The Trichodermin, with the CAS registry number 4682-50-2.It belongs to the product Medicine raw materials. This chemical's molecular formula is C₁₇H₂₄O₄and molecular weight is 292.37. What's more, Its systematic name is Trichothec-9-en-4-ol, 12,13-epoxy-, acetate. It is antifungal metabolite from several fungi, mainly Trichoderma viride. The Trichodermin inhibits protein synthesis by binding to ribosomes, proposed as antifungal and antineoplastic, used as tool in cellular biochemistry.

Physical properties about Trichodermin are: (1)ACD/LogP: 2.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 59.11; (6)ACD/BCF (pH 7.4): 59.11 ; (7)ACD/KOC (pH 5.5): 645.31; (8)ACD/KOC (pH 7.4): 645.31; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 77.569 cm³; (14)Molar Volume: 245.233 cm³; (15)Surface Tension: 42.4090003967285 dyne/cm; (16)Density: 1.192 g/cm³; (17)Flash Point: 160.98 °C; (18)Enthalpy of Vaporization: 61.823 kJ/mol; (19)Boiling Point: 371.232 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(=O)OC1C[C@H]3O[C@@H]4/C=C(/C)CC[C@]4(C)[C@]1(C)[C@@]23CO2;
(2)Std. InChI:InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13?,14-,15+,16-,17+/m1/s1;
(3)Std. InChIKey:HNEGCRMUYSKRRR-IKDFJIFVSA-N.

The toxicity data of Trichodermin as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		Bulletin du Cancer. Vol. 73, Pg. 402, 1986.
mouse	LD50	subcutaneous	500mg/kg (500mg/kg)		Netherlands Application Patent Document. Vol. #302527,

Product Name

Trichoderonin

Trichodermin Specification

Related Products

Hot Products