18296-45-2

• 常用中文名：地戊曲酯
• 常用英文名：Didrovaltrate
• CAS号：18296-45-2
• 分子式：C₂₂H₃₂O₈
• 分子量：424.485
• 相关类别： 天然产物 环烯醚萜衍生物
• 发布时间：2018-04-06 08:00:00
• 更新时间：2024-01-02 12:00:51
• Didrovaltrate (Didrovaltratum) 是从缬草根中分离出来的一种细胞毒性和抗肿瘤剂。

名称

• 中文名: 地戊曲酯
• 英文名: [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
• 英文别名: Didrovaltrate; Dihydroisovalepotriate; Isovalepotriate,dihydro; Isovaltrate,dihydro; Butanoic acid, 3-methyl-, (1S,4aS,6S,7R,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl ester; Dihydroisovaltratum; Dihydroisovaltrate; Dihydrovaltrate; (1S,4aS,6S,7R,7aS)-6-Acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate; (1S,4aS,6S,7R,7aS)-6-(acetyloxy)-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate; Didrovaltratum

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 507.5±50.0 °C at 760 mmHg
• 熔点: 63-64℃
• 分子式: C₂₂H₃₂O₈
• 分子量: 424.485
• 闪点: 217.7±30.2 °C
• 精确质量: 424.209717
• PSA: 100.66000
• LogP: 2.07
• 外观性状: 粉末
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.517
• 储存条件: 室温

生物活性

• 描述: Didrovaltrate (Didrovaltratum) 是从缬草根中分离出来的一种细胞毒性和抗肿瘤剂。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Bounthanh C, et al. Valepotriates, a new class of cytotoxic and antitumor agents. Planta Med. 1981;41(1):21-28.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : EK7902800 CHEMICAL NAME : Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxo butoxy) methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha, 7-beta,7a-alpha))- CAS REGISTRY NUMBER : 18296-45-2 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C22-H32-O8 MOLECULAR WEIGHT : 424.54 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 123 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) MUTATION DATA TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Bacteria - Escherichia coli DOSE/DURATION : 100 nmol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 203,81,1988

安全

• 危害码 (欧洲): Xi