红花黄色素(A)

红花黄色素(A) 基本信息
CAS号 85532-77-0 分子式 C27H30O16
分子量 610.51700 精确质量  610.15300
PSA  273.36000 LogP  -3.99120

基本信息 展开↓

CAS号:
85532-77-0
3D弹球模型:
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分子式:
C27H30O16
分子量:
610.51700
中文名称:
红花黄色素(A)
英文名称:
safflor yellow (A)
中文别名:
红花黄色素(A);
红花黄色素A
英文别名:
safflor yellow (A);
SABINENE HYDRATE(SG);
6-beta-D-Glucopyranosyl-2,3,4,4a,6,9b-hexahydro-3,4,6,7-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-9H-pyrano[3,2-b]benzofuran-9-one;
SAFFLOR YELLOW A (RG)
精确分子量/精确质量:
610.15300
极性分子表面积/PSA:
273.36000
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:
The Key: YKDBQWHZEDSTAI-SDVHEVKMSA-N

物化性质展开↓

密度:
1.81g/cm3
沸点:
942.3ºC at 760 mmHg
闪点:
313ºC
折射率:
1.764

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ0333750
CHEMICAL NAME :
9H-Pyrano(3,2-b)benzofuran-9-one, 2,3,4,4a,6,9b-hexahydro-6-beta-D-glucopyranosyl-2- (hydroxymethyl)-8-(3-(4-hydroxyphenyl)-1-oxo-2-propen yl)-3,4,6,7-tetrahydr oxy-
CAS REGISTRY NUMBER :
85532-77-0
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C27-H30-O15
MOLECULAR WEIGHT :
594.57

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5530 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
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: 15,348,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5490 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
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: 15,348,1984
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