2,3-二氢-5,8-二羟基-3-[(4-羟基苯基)甲基]-7-甲氧基-4H-1-苯并吡喃-4-酮 | 93078-83-2
2,3-二氢-5,8-二羟基-3-[(4-羟基苯基)甲基]-7-甲氧基-4H-1-苯并吡喃-4-酮
8-O-Demethyl-7-O-methyl-3,9-dihydropunctatin
93078-83-2
C17H16O6
316.305345535278
名称和标识符
InChIKey |
QALFGMCBICJHPI-UHFFFAOYSA-N |
Inchi |
1S/C17H16O6/c1-22-13-7-12(19)14-15(20)10(8-23-17(14)16(13)21)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3 |
SMILES |
O=C1C(CC2C=CC(O)=CC=2)COC2C1=C(C=C(C=2O)OC)O |
别名信息
- 中文别名 -
- 2,3-二氢-5,8-二羟基-3-[(4-羟基苯基)甲基]-7-甲氧基-4H-1-苯并吡喃-4-酮
- 8-O-脱甲基-7-O-甲基-3,9-二氢视觉素
- 2,3-二氢-5,8-二羟基-3-[(4-羟基苯基)甲基]-7-甲氧基-4H-1-苯并吡喃-4-酮标准品,对照品
- 英文别名 -
- 8-O-Demethyl-7-O-methyl-3,9-dihydropunctatin
- 8-O-Demethyl-7-O-methyl-3,9-dihy
- 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-2,3-dihydro-4H-chrome n-4-one
- 8-O-DEMETHYL-7-OMETHYL-3,9-DIHYDROPUNCTATIN
- 2,3-Dihydro-5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4H-1-benzopyran-4-one
- 2,3-Dihydro-5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4H-1-benzopyran-4-one (ACI)
- DTXSID601127514
- DTXSID601127514
- starbld0000807
- starbld0000807
- AKOS032948780
- AKOS032948780
- 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
- 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
- FS-9168
- FS-9168
- 93078-83-2
- 93078-83-2
- 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
- 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
- CHEBI:175058
- CHEBI:175058
- 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone
- 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone
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物化性质
实验特性
LogP |
2.24600 |
PSA |
96.22000 |
熔点 |
172-174°C |
颜色与性状 |
Yellow powder |
计算特性
精确分子量 |
316.09500 |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
3 |
同位素质量 |
316.09468823g/mol |
重原子数量 |
23 |
复杂度 |
419 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
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) |
2.8 |
拓扑分子极性表面积 |
96.2Ų |