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1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI) | 11019-08-2

1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI)结构式图片|11019-08-2结构式图片
1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI)
11019-08-2
C24H28O13
524.4713
114428
名称和标识符
InChIKey DQTBHYIUQDHMTL-JFMGLJEISA-N
Inchi InChI=1S/C24H28O13/c1-6-15-16-7-8-30-22(29)17(16)9-32-23(15)37-24-21(35-14(5)28)20(34-13(4)27)19(33-12(3)26)18(36-24)10-31-11(2)25/h6-7,9,15,18-21,23-24H,1,8,10H2,2-5H3/t15-,18-,19-,20+,21-,23+,24+/m1/s1
SMILES C(O[C@@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)O[C@H]1O[C@@H]1OC=C2C(=O)OCC=C2[C@H]1C=C)(=O)C
别名信息
- 中文别名 -
- 英文别名 -
  • 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI)
  • (5R-trans)-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one
  • (5R-trans)-5,6-Dihydro-6-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one
  • 5-ethenyl-1-oxo-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,4,6-tetra-O-acetyl-beta-D-allopyranoside
  • (5R)-5β-Ethenyl-5,6-dihydro-6α-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-1H,3H-pyrano[3,4-c]pyran-1-one
  • EINECS 234-250-9
  • EINECS 234-250-9
  • DTXSID60911527
  • DTXSID60911527
  • 5-Ethenyl-1-oxo-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,4,6-tetra-O-acetylhexopyranoside
  • 5-Ethenyl-1-oxo-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,4,6-tetra-O-acetylhexopyranoside
  • 11019-08-2
  • 11019-08-2
  • [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]oxan-2-yl]methyl acetate
  • [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]oxan-2-yl]methyl acetate
物化性质
实验特性
折射率 1.54
沸点 639°Cat760mmHg
闪点 272°C
密度 1.36
计算特性
精确分子量 524.153
氢键供体数量 0
氢键受体数量 13
可旋转化学键数量 12
同位素质量 524.153
重原子数量 37
复杂度 1010
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 2
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) 0.5
拓扑分子极性表面积 159Ų
专业数据库参考
PubChemId 114428
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