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异土木香内酯 | 470-17-7

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中文名称:异土木香内酯
英文名称:Isoalantolactone
CAS No.:470-17-7 分子式:C15H20O2 分子量:232.3181
植物源: 土木香   
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:异土木香内酯结构式
价格行情:异土木香内酯价格
国内供应商
异土木香内酯的其他展现形式
  • 相关化合物
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Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9bS)- CAS No.:24164-19-0
2-Butenoic acid,2-methyl-,(1R,2R,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenylester, (2Z)- CAS No.:469-26-1
简介
Isoalantolactone 是一种烷化剂,用作细胞凋亡 (apoptosis) 诱导剂。
名称和标识符
InChIKey CVUANYCQTOGILD-QVHKTLOISA-N
Inchi 1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1
SMILES O1C(C(=C([H])[H])[C@]2([H])[C@@]1([H])C([H])([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]1([H])C2([H])[H])=O
BRN 0013402
别名信息
- 中文别名 -
异土木香内酯 异阿兰内酯 异木香内脂 Isoalantolactone 异土木香内酯 标准品 异ALANTOLACTONE(RG) 异土木香内酯 Isoalantolactone 异土木香内酯(标准品) 异土木香内酯(异阿兰内酯) 异土木香内酯,Isoalantolactone,植物提取物,标准品,对照品 异土木香内酯对照品
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- 英文别名 -
Isoalantolactone (3ar,4as,8ar,9ar)-8a-methyl-3,5-dimethylene-decahydro-naphtho[2,3-b]furan-2-one ISOALANTOACTONE Naphtho[2,3-b]furan-2(3H)-one,decahydro-8a-methyl-3,5-bis(methylene)-, (3aR,4aS,8aR,9aR)- (+)-Isoalantolactone ISOHELENIN isolantolactone iso-alantolacton iso-alantolactone BYH07P620U NSC241036 (3aR,4aS,8aR,9aR)-8a-methyl-3,5-bis(methylidene)decahydronaphtho[2,3-b]furan-2(3H)-one Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR-(3a alpha,4a alpha,8a beta,9a alpha))- (3aR,4aS,8aR, (3aR,4aS,8aR,9aR)-Decahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one Naphtho(2,3-b)furan-2(3H)-one, d
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物化性质
 实验特性
LogP 3.24060
PSA 26.30000
沸点 364.9℃ at 760mmHg
颜色与性状 Cryst.
 计算特性
精确分子量 232.14600
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 0
同位素质量 232.146329876 g/mol
重原子数量 17
复杂度 409
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 0
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) 3.4
拓扑分子极性表面积 26.3
分子量 232.32
国际标准相关数据
EINECS 241036
MDL MFCD08689940
相关文献

1. 524. Adducts of alantolactone and isoalantolactone with bases
J. W. Steele,J. B. Stenlake,W. D. Williams J. Chem. Soc. 1959 2627

2. Total synthesis of three eudesman-12,8-olides, (±)-isoalantolactone, (±)-dihydrocallitrisin and (±)-septuplinolide; structure revision of septuplinolide
Masahiro Tada,Hirokazu Yamada,Akira Kanamori,Kazuhiro Chiba J. Chem. Soc. Perkin Trans. 1 1993 239

3. A new synthetic method for exocyclic methylene αβ-unsaturated γ- lactones and synthesis of (±)-isoalantolactone
Hitoshi Minato,Isao Horibe Chem. Commun. (London) 1965 531

4. Studies on sesquiterpenoids. Part XVI. A new synthetic method for α-methylene-γ-lactones; total synthesis of (±)-isoalantolactone
Hitoshi Minato,Isao Horibe J. Chem. Soc. C 1967 1575

5. Dual effects on constipation and diarrhea: protective potential of Radix Inulae lactones on irritable bowel syndrome
Ying Peng,Siqi Wang,Mengyue Wang,Fang Wang,Jingyu Yang,Chunfu Wu,Xiaobo Li RSC Adv. 2016 6 94486

6. Spiroalanpyrroids A and B, sesquiterpene alkaloids with a unique spiro-eudesmanolide–pyrrolizidine skeleton from Inula helenium
You-Sheng Cai,Zi Wu,Xiao-Qin Zheng,Cong Wang,Jian-Rong Wang,Xin-Xin Zhang,Guofu Qiu,Kongkai Zhu,Shugeng Cao,Jianqing Yu Org. Chem. Front. 2020 7 303

7. Eudesmane sesquiterpenoids from the Asteraceae family
Quan-Xiang Wu,Yan-Ping Shi,Zhong-Jian Jia Nat. Prod. Rep. 2006 23 699

8. Amino-derivatives of the sesquiterpene lactone class of natural products as prodrugs
James R. Woods,Huaping Mo,Andrew A. Bieberich,Tanja Alavanja,David A. Colby Med. Chem. Commun. 2013 4 27

9. Diacyl peroxides: practical reagents as aryl and alkyl radical sources
Han Liu,Jin-Tao Yu,Changduo Pan Chem. Commun. 2021 57 6707

10. Index of subjects, 1967
J. Chem. Soc. C 1967 2729

化合物详情(旧版)

异土木香内酯理化性质

【性状】 本品为棱柱形结晶(稀乙醇)。
【熔点】  394.44[K]
【沸点】  623.67[K]
密度1.07g/cm3
闪点】 152.7ºC
折射率】 1.527
【临界温度】829.44[K]
【临界压力】 21.374[Bar]
【临界体积】 721.50[cm3/mol]
【Gibbs Energy】16.060[kJ/mol]
【Log P】2.98
【MR】 66.18[cm3/mol]
【Henry's Law】2.119
【Heat of Form】  -300.75[kJ/mol]
【溶解性】溶于乙醇、乙醚、苯和氯仿,微溶于石油英,不溶于水。
【贮藏方法】2-8°C,避光保存。

合成路线

异土木香内酯的合成路线
异土木香内酯的核磁共振1H谱图

异土木香内酯的核磁共振1H谱图

异土木香内酯的核磁共振13C谱图

异土木香内酯的核磁共振13C谱图

检测方法

高效液相色谱法HPLC≥98%
色谱条件:流动相:乙腈:水(50:50) 检测波长:194nm (仅供参考))

产品用途

【用途1】本品用于含量测定。
【用途2】具有驱虫、抗原虫作用。对须癣毛菌、大小孢菌有明显的抑制作用。具有很强的抗结核杆菌和其他微生物的作用。

提取来源

本品为存在于菊科植物土木香(Ihula helenium L.)的根。

注意事项

本品应在低温下保存,长时间在暴露在空气中,含量会有所降低。

异土木香内酯的质谱图

470-17-7的质谱图

扩展阅读
异土木香内酯 http://www.biopurify.cn/Phytochemicals/Isoalantolactone.html
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