1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate] b-D-glucopyranose
1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate] b-D-glucopyranose · CAS 344562-78-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate] b-D-glucopyranose
- CAS
- 344562-78-3
- CID
- 46782405
- IUPAC 名称
- [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate] b-D-glucopyranose
- CAS
- 344562-78-3
- CID
- 46782405
- IUPAC 名称
- [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
分子属性
- 分子式
- C23H30O11
- 分子量
- 482.5 g/mol
- 精确质量
- 482.17881177 Da
- 单同位素质量
- 482.17881177 Da
- XLogP
- 1.4
- 极性表面积
- 172 Ų
- 氢键供体
- 5
- 氢键受体
- 11
- 可旋转键
- 9
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 755
结构标识
- InChIKey
- VCDAVVIRONUCLX-YFQQPWNWSA-N
- SMILES
- CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O
- InChI
- InChI=1S/C23H30O11/c1-10(5-7-15(25)34-23-20(29)19(28)18(27)14(8-24)33-23)4-6-12-17(26)16-13(9-32-22(16)30)11(2)21(12)31-3/h4,14,18-20,23-24,26-29H,5-9H2,1-3H3/b10-4+/t14?,18-,19+,20?,23+/m1/s1