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蒲公英甾醇醋酸酯 | 6426-43-3

蒲公英甾醇醋酸酯结构式图片|6426-43-3结构式图片
蒲公英甾醇醋酸酯
Taraxasteryl acetate
6426-43-3
C32H52O2
468.7541
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:蒲公英甾醇醋酸酯结构式
13889352
简介
Taraxasteryl acetate 是从矢状疟原虫中分离出来的,具有广谱的抗炎活性。 Taraxasteryl acetate 可减轻右旋糖酐,酵母聚糖和花生四烯酸诱导的大鼠后爪水肿。Taraxasteryl acetate 可用于局部炎症的相关研究。
名称和标识符
MDL MFCD01861510
InChIKey SFEUTIOWNUGQMZ-VDJWUHLSSA-N
Inchi 1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32?/m1/s1
SMILES O(C(C([H])([H])[H])=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]2([H])[C@@]3([H])[C@]([H])(C([H])([H])[H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H]
别名信息
- 中文别名 -
  • 蒲公英甾醇醋酸酯
  • 蒲公英甾醇乙酸酯
  • 蒲公英甾醇醋酸酯对照品
  • 蒲公英甾醇乙酸酯(标准品)
  • 蒲公英甾醇乙酸酯taraxasteryl acetate
  • 乙酸蒲公英甾醇酯
  • 蒲公英醇醋酸酯
  • 蒲公英甾醇醋酸酯,蒲公英甾醇乙酸酯
  • 蒲公英甾醇乙酸酯、乙酸蒲公英甾醇酯
  • 蒲公英甾醇乙酸酯(分析标准品)
  • 蒲公英甾醇乙酸酯(对照品)
- 英文别名 -
  • taraxasterol acetate
  • Taraxasteryl acetate
  • Lactucerin
  • Lactucone
  • [(4Ar,6aS,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a
  • 15-hydroxy-dehydroabietic-acid
  • CHEBI:67438
  • LACTUCEROL ACETATE
  • CHEMBL1796000
  • CS-0022749
  • NSC-401400
  • SAUSSUROL ACETATE
  • UNII-9F07Z33516
  • (.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL, ACETATE
  • .ALPHA.-LACTUCEROL ACETATE
  • 9F07Z33516
  • 6426-43-3
  • Taraxasterol acetate
  • AKOS037514855
  • Urs-20(30)-en-3-ol acetate
  • MS-28663
  • [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
  • Q27135905
  • SCHEMBL23929098
  • NSC 401400
  • TARAXASTEROL ACETATE [MI]
  • AC-34566
  • Urs-20(30)-en-3-ol, acetate, (3.beta.,18.alpha.,19.alpha.)-
  • [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
  • HY-N2478
  • Urs-20(3)-en-3-ol, acetate
  • MFCD01861510
  • [ "" ]
  • (4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) acetate
  • NSC401400
  • FT-0776992
  • AKOS015897126
  • DTXSID80982799
  • SCHEMBL23929115
  • Taraxasterolacetate
  • Urs-20(30)-en-3-yl acetate
  • TARAXASTEROL, ACETATE
  • (3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate
  • Saussurol acetate
  • Isolactucerol acetate
  • 20(30)-Ursen-3-ol
  • 3&#946
  • -form, Ac
  • Pyrethrol acetate
  • Lactucon
物化性质
实验特性
LogP 8.59560
PSA 26.30000
折射率 1.525
沸点 502.788 °C at 760 mmHg
蒸气压 0.0±1.3 mmHg at 25°C
闪点 502.788 °C at 760 mmHg
颜色与性状 Powder
密度 1.016
计算特性
精确分子量 468.39700
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 2
同位素质量 468.396731
重原子数量 34
复杂度 872
同位素原子数量 0
确定原子立构中心数量 9
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 9.7
拓扑分子极性表面积 26.3
分子量 468.8
相关文献
  • 1. 389. The triterpene group. Part IV. The triterpene alcohols of Taraxacum root
    Sydney Burrows,James C. E. Simpson J. Chem. Soc. 1938 2042
  • 2. The chemistry of the triterpenes and related compounds. Part XXIII. The structure of taraxasterol, ψ-taraxasterol (heterolupeol), and lupenol-I
    T. R. Ames,J. L. Beton,A. Bowers,T. G. Halsall,E. R. H. Jones J. Chem. Soc. 1954 1905
  • 3. The chemistry of the triterpenes and related compounds. Part XXII. The conversation of lupeol into ψ-taraxasterol (heterolupeol)
    T. G. Halsall,E. R. H. Jones,R. E. H. Swayne J. Chem. Soc. 1954 1902
  • 4. Natural products of pentacyclic triterpenoids: from discovery to heterologous biosynthesis
    Yanlin Li,Jing Wang,Linyong Li,Wenhui Song,Min Li,Xin Hua,Yu Wang,Jifeng Yuan,Zheyong Xue Nat. Prod. Rep. 2023 40 1303
  • 5. 148. The triterpene group. Part VII. The minor triterpenoid constituents of Manila elemi resin
    Isobel M. Morice,James C. E. Simpson J. Chem. Soc. 1940 795
  • 6. A review on phytochemical constituents and pharmacological potential of Calotropis procera
    Barkha Darra Wadhwani,Deepak Mali,Pooja Vyas,Rashmy Nair,Poonam Khandelwal RSC Adv. 2021 11 35854
  • 7. 310. Triterpenoids. Part VI. Some observations on the constitution of zeorin
    D. H. R. Barton,T. Bruun J. Chem. Soc. 1952 1683
  • 8. 39. The triterpene group. Part VIII. The minor triterpenoid constituents of Manila elemi resin (continued)
    Isobel M. Morice,James C. E. Simpson J. Chem. Soc. 1941 181
  • 9. 538. The Euphorbia resins. Part II. The isolation of taraxasterol and a new triterpene, tirucallol, from E. tirucalli
    Dennis W. Haines,Frank L. Warren J. Chem. Soc. 1949 2554
  • 10. Constituents of the leaves of Ficus carica, L. Part II. Isolation of a ψ-taraxasteryl ester, rutin, and a new steroid sapogenin
    Ibrahim El-Sayed El-Kholy,Mohammed Abdel Monem Shaban J. Chem. Soc. C 1966 1140
专业数据库参考
PubChemId 13889352
参考资料
Reaxys RN
化合物详情(旧版)

SMILES

CC(=O)OC1C(C)(C)C2C(CC1)(C)C3C(CC2)(C)C4(C)C(CC3)C5C(CCC(=C)C5C)(C)CC4

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