470-17-7_异土木香内酯CAS号:470-17-7/异土木香内酯中英文名/分子式/结构式

异土木香内酯的其他展现形式

相关化合物

珊塔玛内酯 Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-,(3aS,5aR,6R,9aS,9bS)- CAS No.：4290-13-5

Α-环广木香内酯 Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,9a,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9aR,9bS)- CAS No.：2221-81-0

Naphtho[2,3-b]furan-2(3H)-one,3a,4,4a,7,8,8a,9,9a-octahydro-4,8-dihydroxy-5,8a-dimethyl-3-methylene-,(3aS,4R,4aS,8R,8aR,9aS)- CAS No.：130973-38-5

Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9bR)- CAS No.：27579-97-1

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

安全信息纠错

安全说明	S22; S36
风险术语	R40
危险品标志	Xn
储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
危险类别码	40

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。