简介名称和标识符别名信息物化性质安全信息相关文献专业数据库参考相关分类

乌心石内酯 | 68370-47-8

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中文名称：乌心石内酯

英文名称： Micheliolide

CAS No.： 68370-47-8

分子式： C₁₅H₂₀O₃

分子量： 248.3175

植物源：

木香

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：乌心石内酯结构式

MSDS：乌心石内酯MSDS

PubChem CID： 442279

价格行情：乌心石内酯价格

快速询单国内供应商

乌心石内酯的其他展现形式

相关化合物

小白菊内酯

Parthenolide

CAS No.：29552-41-8
小白菊内酯

parthenolide

CAS No.：20554-84-1
Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI)

CAS No.：104992-93-0
Oxireno[5,6]cyclotetradeca[1,2-b]furan-11(2H)-one,1a,3,4,7,9a,12,12a,13,14,14a-decahydro-4-hydroxy-4,8,14a-trimethyl-12-methylene-(9CI)

CAS No.：114728-07-3
Cyclotetradeca[b]furan-2(3H)-one,4,12-bis(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,4R,6E,10E,12R,14E,15aR)- (9CI)

CAS No.：104992-92-9
9-Oxabicyclo[6.2.1]undeca-1,5-dien-10-one,2-[(acetyloxy)methyl]-11-(1,5-dimethyl-4-hexenyl)-6-methyl- (9CI)

CAS No.：116406-17-8

简介

Micheliolide能减弱高糖刺激的NF-κB活化，IκBα的降解，和MCP-1，TGF-β1，FN在鼠系膜细胞的表达。

名称和标识符

MDL	MFCD27953044
InChIKey	RDJAFOWISVMOJY-PWNZVWSESA-N
Inchi	1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1
SMILES	O1C(C(=C([H])[H])[C@]2([H])C([H])([H])C([H])([H])C(C([H])([H])[H])=C3C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]3([H])[C@@]12[H])O[H])=O

别名信息

- 中文别名 -

乌心石内酯
木香内酯
木香内酯(乌心石内酯)
乌心石内酯(木香内酯)
乌心石内酯、木香内酯

乌心石内酯木香内酯

- 英文别名 -

Micheliolide
(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Mecheliolide
[3aS-(3aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,7,8,9,9a,9b-Octahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
(3aS)-3aβ,4,5,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one

C09507
(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
BCP28251
VZ20104
(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-on
68370-47-8
AC-33982
AKOS030526879
AS-78222
CHEBI:6922
SCHEMBL18334099
HY-N0847
C15H20O3
(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylene-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one
MICHELIOLIDE
HMS3886D22
(3aS,9R,9aS,9bS,Z)-9-hydroxy-6,9-dimethyl-3-methylene-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-b]furan-2(9bH)-one
(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-one
(3aS)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-9beta-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
DTXSID20331787
Q27107361
BDBM50455476
CHEMBL449579
s9309
A867060
(3aS)-3ass,4,5,7,8,9,9ass,9ba-Octahydro-9ss-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
CCG-266942

物化性质

实验特性

LogP	2.35550
PSA	46.53000
折射率	1.555
沸点	426.1±45.0 °C at 760 mmHg
熔点	131-133 ºC
闪点	181.8±21.5 °C
溶解度	微溶 (7.4 g/L) (25 ºC),
颜色与性状	Powder
密度	1.17±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量	248.14100
氢键供体数量	1
氢键受体数量	3
可旋转化学键数量	0
同位素质量	248.14124450 g/mol
重原子数量	18
复杂度	462
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）	1.3
拓扑分子极性表面积	46.5
分子量	248.32

安全信息

安全说明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
危害声明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明	P264处理后彻底清洗+P280戴防护手套/穿防护服/戴防护眼罩/戴防护面具+P305如果进入眼睛+P351用水小心冲洗几分钟+P338取出隐形眼镜（如果有）并且易于操作,继续冲洗+P337如果眼睛刺激持续+P313获得医疗建议/护理
储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
信号词	warning

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专业数据库参考

PubChemId	442279

乌心石内酯 | 68370-47-8

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