ENNIATIN B

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0447
CAS
917-13-5
Product Name
ENNIATIN B
Structure

Product Details

Description
It is produced by the strain of Fusarium orthoceras var. enniatinum. It has insecticidal and antifungal activity.
Synonyms
3-N-Methylvaline Enniatin; Cyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl]; Cyclo(3-methyl-D-2-hydroxybutanoyl-N-methyl-L-valyl-3-methyl-D-2-hydroxybutanoyl-N-methyl-L-valyl-3-methyl-D-2-hydroxybutanoyl-N-methyl-L-valyl)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Weight
639.82
Molecular Formula
C33H57N3O9
Canonical SMILES
CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
InChI
InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
InChIKey
MIZMDSVSLSIMSC-VYLWARHZSA-N
Boiling Point
827.0±65.0 °C (Predicted)
Melting Point
173-175 °C
Purity
>99% by HPLC
Density
1.036±0.06 g/cm3 (Predicted)
Solubility
Soluble in Chloroform, Ethanol, Methanol, DMF, DMSO; Poorly soluble in Water
Appearance
White powder
Application
Anti-Bacterial Agents
Storage
-20 °C
Color
Brown
Definition
ChEBI: An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.
Form
Powder
Hazard Class
6.1(a)
Hazard Codes
T
MDL
MFCD00236425
Packaging
1 mg
Packing Groups
I
pKa
-1.08±0.70(Predicted)
RIDADR
2811
Risk Statements
23/24/25
Safety Statements
45
WGK Germany
3
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