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About This Item
线性分子式:
C6H5C(OCH3)(CF3)CO2H
CAS号:
分子量:
234.17
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
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化驗
97%
折射率
n20/D 1.476 (lit.)
bp
95-98 °C/0.05 mmHg (lit.)
mp
41-46 °C (lit.)
儲存溫度
2-8°C
SMILES 字串
COC(C(O)=O)(c1ccccc1)C(F)(F)F
InChI
1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)
InChI 密鑰
JJYKJUXBWFATTE-UHFFFAOYSA-N
應用
Diastereomeric bis-esters of (±)-trans-7,8-dihydroxy-7,8,9,10-tetrahydrobenzo[α]pyrene with MTPA has been used as a noncarcinogenic precursor to obtain the (+)and (-)-dihydrodiols by chromatographic resolution. It has also been used to develop empirically derived correlation of configuration and nmr chemical shifts for diastereomeric MTPA esters.
訊號詞
Warning
危險聲明
危險分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
11 - Combustible Solids
水污染物質分類（WGK）
WGK 3
閃點（°F）
235.4 °F - closed cup
閃點（°C）
113 °C - closed cup
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
Nuclear Magnetic Resonance Enantiomer Reagents. Configurational Correlations via Nuclear Magnetic Resonance Chemical Shifts of Diastereomeric Mandelate, 0-Methylmandelate, and α-Methoxy-α-trifluoromethylphenylacetate (MTPA) Esters
Dale JA and Mosher HS
Journal of the American Chemical Society, 95(2), 512-519 (1973)
W Levin et al.
The Journal of biological chemistry, 255(19), 9067-9074 (1980-10-10)
The (+)- and (-)-enantiomers of benzo[a]pyrene 7,8-oxide are hydrated stereospecifically at C-8 to (-)- and (+)-trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene, respectively, by rat hepatic epoxide hydrolase. The (-)-enantiomer of benzo[a]pyrene 7,8-oxide is metabolized by microsomal epoxide hydrolase at a rate 3- to 4-fold greater
Yuka Uemura et al.
Chemical & pharmaceutical bulletin, 63(8), 608-616 (2015-08-04)
From the leaves of Meliosma lepidota ssp. squamulata, megastigmane glucosides with spiro-structures and megastigmanes were isolated. Their structures were determined by X-ray crystallographic analyses and spectroscopic investigation. The absolute structures of the megastigmanes were determined by the modified Mosher's method.
Dongsheng Du et al.
Fitoterapia, 101, 73-79 (2015-01-07)
Two new germacrane sesquiterpenes, yedoensins A (1) and B (2), together with 8 known ones (3-10) were isolated from the herb of Viola yedoensis. The structures of the new compounds were established by extensive spectroscopic means including 1D ((1)H and
Guangyu Wang et al.
Oncology letters, 10(5), 2835-2841 (2016-01-02)
MicroRNA-181 (miR-181) has been recently demonstrated to participate in the differentiation and development of immune cells, including natural killer cells and B and T lymphocytes, and myeloid linages, including erythroid and megakaryocytic cells. The aberrant expression of miR-181, particularly low
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