Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-,methyl ester (9CI) | 110065-77-5

Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-,methyl ester (9CI)结构式图片|110065-77-5结构式图片

英文名称：Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-,methyl ester (9CI)
CAS No.：110065-77-5 分子式：C₂₁H₂₈O₇ 分子量：392.44282
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-,methyl ester (9CI)结构式

Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-,methyl ester (9CI)的其他展现形式

相关化合物

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名称和标识符

Inchi	InChI=1S/C21H28O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8-9,12,16-18,22H,3,5-7,10-11H2,1-2,4H3/b14-9+,15-8+
InChIKey	AQFGGOQLDNXCED-LPSKSUNQSA-N
SMILES	CCC(C(OC1CC(C(OC)=O)=CCCC(CO)=CC2OC(C(=C)C12)=O)=O)C \|c:11,17\|

别名信息

- 中文别名 -

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- 英文别名 -

Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-,methyl ester (9CI) Cyclodeca[b]furan-6-carboxylicacid,2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

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物化性质

计算特性

精确分子量	392.18354
同位素质量	392.183503
同位素原子数量	0
氢键供体数量	1
氢键受体数量	7
重原子数量	28
可旋转化学键数量	7
复杂度	704
共价键单元数量	1
确定原子立构中心数量	0
不确定原子立构中心数量	4
确定化学键立构中心数量	2
不确定化学键立构中心数量	0
拓扑分子极性表面积	99.1

实验特性

密度	1.2
沸点	562.4°Cat760mmHg
闪点	192.4°C
折射率	1.531
PSA	99.13