124-98-1

124-98-1结构式

常用中文名：藜蘆素
常用英文名：Cevane-3,4,12,14,16,17,20-heptol,4,9-epoxy-, (3a,4a,16b)-
CAS号：124-98-1
分子式：C₂₇H₄₃NO₈
分子量：509.63200
发布时间：2018-08-20 13:25:47
更新时间：2024-01-09 19:02:05

中文名	藜蘆素
英文名	cevine
英文别名	SABADININE Cevane-3,4,12,14,16,17,20-heptol,4,9-epoxy-, (3a,4a,16b)-

密度	1.5g/cm3
沸点	693.5ºC at 760mmHg
分子式	C₂₇H₄₃NO₈
分子量	509.63200
闪点	373.2ºC
精确质量	509.29900
PSA	154.08000
蒸汽压	3.01E-22mmHg at 25°C
折射率	1.684
分子结构	1、摩尔折射率：129.04 2、摩尔体积（cm³/mol）：339.7 3、等张比容（90.2K）：1030.7 4、表面张力（dyne/cm）：84.7 5、极化率（10-24cm3）：51.15
计算化学	1.疏水参数计算参考值（XlogP）:-1.2 2.氢键供体数量:7 3.氢键受体数量:9 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积154 7.重原子数量:36 8.表面电荷:0 9.复杂度:999 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:14 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FL4550000

CHEMICAL NAME :: Cevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-

CAS REGISTRY NUMBER :: 124-98-1

LAST UPDATED :: 199010

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C27-H43-N-O8

MOLECULAR WEIGHT :: 509.71

WISWESSER LINE NOTATION :: T J6 H6 E6 D5665/TC& 3ATU C& ON TX C&OTJ EQ GQ HQ IQ I1 M1 RQ U1 A&Q B&Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 67 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 82,167,1944

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 113,89,1955

危险品运输编码	UN 1544
包装等级	II
危险类别	6.1(a)

62-59-9

124-98-1

文献：Stoll; Seebeck Helvetica Chimica Acta, 1952 , vol. 35, p. 1270,1277

559-82-0

124-98-1

文献：Stoll; Seebeck Helvetica Chimica Acta, 1952 , vol. 35, p. 1270,1277

62-59-9

80-59-1

124-98-1

文献：Wright; Luff Journal of the Chemical Society, 1878 , vol. 33, p. 338,345, 347

124-98-1

文献：Kupchan et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 5519,5524 Full Text Show Details Stoll; Seebeck Helvetica Chimica Acta, 1953 , vol. 36, p. 189,196 Full Text Show Details Pelletier; Jacobs Journal of the American Chemical Society, 1953 , vol. 75, p. 3248,3251

62-59-9

80-59-1