4H-1-苯并吡喃-4-酮,8-(2,6-二脱氧-b-D-核糖-吡喃己基)-5-羟基-2-(4-羟基苯基)-7-甲氧基- | 134044-97-6
4H-1-苯并吡喃-4-酮,8-(2,6-二脱氧-b-D-核糖-吡喃己基)-5-羟基-2-(4-羟基苯基)-7-甲氧基-
4H-1-Benzopyran-4-one,8-(2,6-dideoxy-b-D-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
134044-97-6
C22H22O8
414.40528
名称和标识符
InChIKey |
RUTGHCUXABPJTJ-VAXHSPNUSA-N |
Inchi |
InChI=1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3/t10-,15+,18+,21-/m1/s1 |
SMILES |
OC1C=CC(C2=CC(=O)C3=C(C([C@@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)=C(C=C3O)OC)O2)=CC=1 |
别名信息
- 英文别名 -
- 4H-1-Benzopyran-4-one,8-(2,6-dideoxy-b-D-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
- 4H-1-Benzopyran-4-one,8-(2,6-dideoxy-b-D-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-m...
- 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
- aciculatin
- (1S)-1,5-anhydro-2,6-dideoxy-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-D-ribo-hexitol
- 4H-1-Benzopyran-4-one, 8-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
- 8-(2,6-Dideoxy-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one sesquihydrate
物化性质
实验特性
折射率 |
1.657 |
沸点 |
686.2°Cat760mmHg |
闪点 |
242.7°C |
密度 |
1.447 |
计算特性
精确分子量 |
414.131468 |
氢键供体数量 |
4 |
氢键受体数量 |
8 |
可旋转化学键数量 |
3 |
同位素质量 |
414.131468 |
重原子数量 |
30 |
复杂度 |
658 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
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 |
拓扑分子极性表面积 |
126 |
4H-1-苯并吡喃-4-酮,8-(2,6-二脱氧-b-D-核糖-吡喃己基)-5-羟基-2-(4-羟基苯基)-7-甲氧基-推荐生产厂家