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环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-7-甲基-(1S,4aS,7S,7aR)- | 22487-36-1

环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-7-甲基-(1S,4aS,7S,7aR)-结构式图片|22487-36-1结构式图片
环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-7-甲基-(1S,4aS,7S,7aR)-
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,(1S,4aS,7S,7aR)-
22487-36-1
C16H24O9
360.35636
443322
名称和标识符
InChIKey DSXFHNSGLYXPNG-SGABNPRBSA-N
Inchi InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10?,11-,12-,13+,15-,16-/m0/s1
SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@H](C)C23)[C@H](O)[C@@H](O)[C@H]1O
别名信息
- 中文别名 -
- 英文别名 -
  • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,(1S,4aS,7S,7aR)-
  • (1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid
  • 7-deoxy-13-dihydrodaunomycinone
  • 7-deoxydaunomycinol
  • 7-Deoxy-daunorubicinologlycon
  • 7-deoxyloganic acid
  • 7-Desoxyloganin-saeure
  • bis-desoxy-dihydro-monotropein
  • deoxyloganic acid
  • C11636
  • Q19596786
  • SZ67QWR9D3
  • 22487-36-1
  • (1S,4aS,7S,7aR)-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-carboxylic acid
  • (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
  • bis-desoxydihydromonotropein
  • BISDEOXYDIHYDROMONOTROPEIN
  • DTXSID40945163
  • (1S, 4aS, 7S, 7aR)-7-methyl-1-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1, 4a, 5, 6, 7, 7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
  • CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-7-METHYL-, (1S-(1.ALPHA.,4A.ALPHA.,7.ALPHA.,7A.ALPHA.))-
  • CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1.ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A.ALPHA.,5,6,7,7A.ALPHA.-HEXAHYDRO-7.ALPHA.-METHYL-
  • AKOS040735291
  • (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
  • CHEBI:2260
  • SCHEMBL20572414
  • 7-Deoxyloganic acid
  • Deoxyloganic acid
  • 8-Epi-7-Deoxyloganic acid
  • 8-Epideoxyloganic acid
物化性质
实验特性
LogP -1.21000
PSA 145.91000
折射率 1.612
沸点 597.2°Cat760mmHg
闪点 217.9°C
密度 1.52
计算特性
精确分子量 360.14200
氢键供体数量 5
氢键受体数量 9
可旋转化学键数量 4
同位素质量 360.142
重原子数量 25
复杂度 536
同位素原子数量 0
确定原子立构中心数量 9
不确定原子立构中心数量 0
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) -0.4
拓扑分子极性表面积 146Ų
相关文献
专业数据库参考
PubChemId 443322
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