红盏花素

红盏花素 基本信息
CAS号 116122-36-2 分子式 C42H36O23
分子量 908.72100 精确质量  908.16500
PSA  394.47000 LogP  -0.01000

基本信息 展开↓

CAS号:
116122-36-2
分子式:
C42H36O23
分子量:
908.72100
中文名称:
红盏花素
英文名称:
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
中文别名:
红盏花素;
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
英文别名:
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;
Breviscapin;
5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl |A-d-glucopyranosiduronic acid;
Scutellarein-7beta-D-glucuronoside;
Scutellarein-7-glucuronide;
Scutellarein-7beta-D-glucuronide;
Breviscapine
精确分子量/精确质量:
908.16500
极性分子表面积/PSA:
394.47000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

物化性质展开↓

密度:
1.81g/cm3
沸点:
891.6ºC at 760mmHg
闪点:
314.9ºC
折射率:
1.763
蒸汽压:
3.91E-34mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EE4750000
CHEMICAL NAME :
Breviscapine
CAS REGISTRY NUMBER :
116122-36-2
LAST UPDATED :
199503

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1314 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 14,33,1983
立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便