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
中文名称:
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)-
英文名称:
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,(1S,4aS,7S,7aR)-
CAS No.:
22487-36-1
分子式:
C1 6 H2 4 O9
分子量:
360.35636
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
- 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
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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)-推荐生产厂家