商陆皂苷甲

商陆皂苷甲 基本信息
CAS号 65497-07-6 分子式 C42H66O16
分子量 826.96400 精确质量  826.43500
PSA  262.36000 LogP  0.61740

基本信息 展开↓

CAS号:
65497-07-6
分子式:
C42H66O16
分子量:
826.96400
中文名称:
商陆皂苷甲
英文名称:
Esculentoside A
中文别名:
商陆皂苷甲;
商陆皂甙;
商陆皂苷A
英文别名:
Esculentoside A;
Phytolacaponin E;
EsculentosideA;
Esculentoside
精确分子量/精确质量:
826.43500
极性分子表面积/PSA:
262.36000
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:
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)56-24-18-55-33(30(49)28(24)47)58-34-31(50)29(48)27(46)23(17-43)57-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)

物化性质展开↓

密度:
1.42 g/cm3
沸点:
936.7ºC
闪点:
275.3ºC
折射率:
1.619

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RK0177530
CHEMICAL NAME :
Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-((4-O-beta-D-glucopyranosyl-beta-D- xylopyranosyl)oxy)-, 29-methyl ester, (2-beta,3-beta,4-alpha,20-beta)-
CAS REGISTRY NUMBER :
65497-07-6
LAST UPDATED :
198706
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C42-H66-O16
MOLECULAR WEIGHT :
827.08

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
42300 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
SYHJAM Saengyak Hakhoechi. Journal of the Society of Pharmacognosy. (Hanguk Saengyak Hakhoe, c/o Natural Products Institute, Seoul National Univ., 28 Yunkeon-Dong, Chong-ro-ku, Seoul 110, Korea) 1970- Volume(issue)/page/year: 10,73,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
SHZAAY Shoyakugaku Zasshi. Journal of Pharmacognosy. (Nippon Shoyaku Gakkai, c/o Nippon Gakkai Jimu Senta, 2-4-16 Yayoi, Bunkyo-ku, Tokyo 113, Japan) V.6- 1952- Volume(issue)/page/year: 33,111,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
486 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
SHZAAY Shoyakugaku Zasshi. Journal of Pharmacognosy. (Nippon Shoyaku Gakkai, c/o Nippon Gakkai Jimu Senta, 2-4-16 Yayoi, Bunkyo-ku, Tokyo 113, Japan) V.6- 1952- Volume(issue)/page/year: 33,111,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23600 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
SYHJAM Saengyak Hakhoechi. Journal of the Society of Pharmacognosy. (Hanguk Saengyak Hakhoe, c/o Natural Products Institute, Seoul National Univ., 28 Yunkeon-Dong, Chong-ro-ku, Seoul 110, Korea) 1970- Volume(issue)/page/year: 10,73,1979
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