[4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
[4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate · CAS 97169-44-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
- CAS
- 97169-44-3
- CID
- 494583
- IUPAC 名称
- [4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
- CAS
- 97169-44-3
- CID
- 494583
- IUPAC 名称
- [4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
分子属性
- 分子式
- C17H26O11
- 分子量
- 406.4 g/mol
- 精确质量
- 406.14751164 Da
- 单同位素质量
- 406.14751164 Da
- XLogP
- -2.7
- 极性表面积
- 175 Ų
- 氢键供体
- 6
- 氢键受体
- 11
- 可旋转键
- 5
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 626
结构标识
- InChIKey
- CAFTUQNGDROXEZ-UHFFFAOYSA-N
- SMILES
- CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)C
- InChI
- InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3