2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, (3S,5R,6S,10R)- | 102904-56-3

2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, (3S,5R,6S,10R)-结构式图片|102904-56-3结构式图片

英文名称：2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, (3S,5R,6S,10R)-
CAS No.：102904-56-3 分子式：C₂₀H₂₆O₅ 分子量：346.41744
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, (3S,5R,6S,10R)-结构式

2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, (3S,5R,6S,10R)-的其他展现形式

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名称和标识符

InChIKey	HXQMNSQWUMHREA-UHFFFAOYSA-N
Inchi	InChI=1S/C20H26O5/c1-12(2)15-5-4-13(3)20(16(15)6-7-18(21)22)10-17(25-19(20)23)14-8-9-24-11-14/h8-9,11,13,16-17H,4-7,10H2,1-3H3,(H,21,22)
SMILES	O1C=CC(C2CC3(C(C)CC/C(=C(/C)\C)/C3CCC(O)=O)C(=O)O2)=C1

别名信息

- 中文别名 -

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- 英文别名 -

2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, (3S,5R,6S,10R)- (3S,5R,6S,10R)-3-(3-Furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-2-oxaspiro[4.5]decane-6-propionic acid 2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, ... 2-Oxaspiro[4.5]decane-6-propanoicacid, 3-(3-furanyl)-10-methyl-7-(1-methylethylidene)-1-oxo-, [5R-[5a(S*),6a,10a]]- Secochiliolide acid

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物化性质

计算特性

精确分子量	346.178024g/mol
氢键供体数量	1
氢键受体数量	5
可旋转化学键数量	4
同位素质量	346.178024g/mol
重原子数量	25
复杂度	577
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）	3.2
拓扑分子极性表面积	76.7Å²
分子量	346.4g/mol