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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) | 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)
110065-77-5
C21H28O7
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
名称和标识符
InChIKey |
AQFGGOQLDNXCED-LPSKSUNQSA-N |
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+ |
SMILES |
CCC(C(OC1CC(C(OC)=O)=CCCC(CO)=CC2OC(C(=C)C12)=O)=O)C |c:11,17| |
别名信息
- 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
- Cyclodeca(b)furan-6-carboxylic acid, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-, methyl ester
- 9-Desacetoxymelcanthin F
物化性质
实验特性
PSA |
99.13 |
折射率 |
1.531 |
沸点 |
562.4°Cat760mmHg |
闪点 |
192.4°C |
密度 |
1.2 |
计算特性
精确分子量 |
392.18354 |
氢键供体数量 |
1 |
氢键受体数量 |
7 |
可旋转化学键数量 |
7 |
同位素质量 |
392.183503 |
重原子数量 |
28 |
复杂度 |
704 |
同位素原子数量 |
0 |
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 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
2.2 |
拓扑分子极性表面积 |
99.1 |
960化工网为您提供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)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:110065-77-5,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等