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About This Item
Empirical Formula (Hill Notation):
C42H42EuF21O6
CAS Number:
Molecular Weight:
1193.71
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352115
EC Number:
252-214-0
MDL number:
Quality Level
assay
98%
form
powder
optical activity
[α]20/D +158.0°, c = 1 in chloroform
technique(s)
NMR: suitable
mp
156-158 °C (lit.)
functional group
fluoro, ketone
SMILES string
CC1(C)C2CC[C@@]1(C)C(=O)\C2=C(\O[Eu](O\C(=C3\C4CC[C@@](C)(C3=O)C4(C)C)C(F)(F)C(F)(F)C(F)(F)F)O\C(=C5/C6CC[C@@](C)(C5=O)C6(C)C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChI
1S/3C14H15F7O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7+;/t3*6-,11+;/m111./s1
InChI key
VGLKHVQPWGFXEG-PSMAIOHISA-K
Application
Eu(hfc)3 may be used as an optically active NMR shift reagent in the 1H NMR analysis to determine the following:
- Enantiomeric purities of the precursors of trisporic acids A, B and related products.
- Optical purity of racemic 6,7-dichloro-5-methoxy-2-methyl-2-phenyl-1 indanone.
- Epimeric purity of 4-methylsulfinylbutylglucosinolate.
For use as a Lanthanide shift reagent
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Related Content
Pirkle et al.
The Journal of Organic Chemistry, 44, 1025-1025 (1979)
Enantioselective synthesis of the white key intermediate for the synthesis of trisporic acids.
Bacigaluppo JA, et al.
Tetrahedron Asymmetry, 5(10), 1877-1880 (1994)
Optical purity determination and 1H-NMR spectral simplification with lanthanide shift reagents-VIII. An indacrinone precursor, 6, 7-dichloro-5-methoxy-2-methyl-2-phenyl-1-indanone.
Hatzis A and Rothchild R.
Journal of Pharmaceutical and Biomedical Analysis, 4(4), 443-449 (1986)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 164747-1G | 04061826731956 |
| 164747-5G | 04061833320273 |
| 164747-100MG | 04061838748300 |