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Merck
CN

25700

氯原酸 半水合物

≥98.0% (T)

别名:

3-O-(3,4-二羟基肉桂酰)-D-奎宁酸

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关于此项目

经验公式(希尔记法):
C16H18O9 · 0.5H2O
化学文摘社编号:
分子量:
363.32
EC Number:
206-325-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
3039251
MDL number:
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assay

≥98.0% (T)

optical activity

[α]20/D −40.5±1°, c = 2.8% in ethanol

impurities

≤4% water

mp

206-210 °C (dec.)

SMILES string

O.O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O.O[C@@H]3C[C@](O)(C[C@@H](OC(=O)\C=C\c4ccc(O)c(O)c4)[C@@H]3O)C(O)=O

InChI

1S/2C16H18O9.H2O/c2*17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;/h2*1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);1H2/b2*4-2+;/t2*11-,12-,14-,16+;/m11./s1

InChI key

KMUJVRDSAIKKTF-MTDLMOCGSA-N

Gene Information

rat ... G6pc(25634)

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.


存储类别

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

法规信息

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