产品名称

英文名称：Neochlorogenic acid

同义词

Neochlorogenic acid、906-33-2、5-O-Caffeoylquinic acid、Neochlorogenate、5-Caffeylquinic acid、(E)-Neochlorogenic Acid、UNII-O4601UER1Z、O4601UER1Z、CHEBI16384、trans-Neochlorogenic acid、EINECS 212-997-1、(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]ox、5-咖啡奎宁酸,5-咖啡酰奎尼酸

产品性质

CAS编号：906-33-2

分子式：C16H18O9

分子量：354.31

EC号：212-997-1

MDL号：MFCD10566639

PubChem编号：5280633

别名：5-咖啡奎宁酸,5-咖啡酰奎尼酸

英文别名：Neochlorogenic acid|906-33-2|5-O-Caffeoylquinic acid|Neochlorogenate|5-Caffeylquinic acid|(E)-Neochlorogenic Acid|UNII-O4601UER1Z|O4601UER1Z|CHEBI16384|trans-Neochlorogenic acid|EINECS 212-997-1|(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]ox

规格或纯度：99%

英文名称：Neochlorogenic acid

储存温度：2-8°C储存

运输条件：冰袋运输

IUPAC Name：(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

INCHI：InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1

InChi Key：CWVRJTMFETXNAD-NXLLHMKUSA-N

Canonical SMILES：C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Isomeric SMILES：C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

WGK Germany：3

PubChem CID：5280633

密度：1.65

敏感性：对光敏感、吸湿、对热敏感

比旋光度：6.0° (C=0.2,MeOH)

象形图：

信号词：Warning

危险声明：H315 Causes skin irritationH319 Causes serious eye irritationH335 May cause respiratory irritation

预防措施声明：P261,P305+P351+P338,P280,P302+P352,P321,P405,P501,P264,P271,P304+P340,P403+P233,P362+P364,P264+P265,P337+P317,P332+P317,P319

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