二氢赤藓醇 | 126253-41-6
二氢赤藓醇
(2R,3S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-hydroxymethyl-5-benzofuranpropanol
126253-41-6
C19H22O6
346.374
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:二氢赤藓醇结构式
名称和标识符
InChIKey |
SBLZVJIHPWRSQQ-BEFAXECRSA-N |
Inchi |
InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m1/s1 |
SMILES |
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO |
别名信息
- 中文别名 -
- (2R,3S)-二氢去氢二愈创木基醇
- 二氢赤藓醇
- 7R,8S-二氢去氢双松柏醇
- DIHYDRODEHYDRODICONIFERYL ALCOHO
- 英文别名 -
- (2R,3S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-hydroxymethyl-5-benzofuranpropanol
- (2R-trans) 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-hydroxy-5-benzofuranpropanol
- (2R-trans)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-hydroxy-5-benzofuran-propanol
- (7R,8S)-4,3',9,9'-tetrahydroxyl-3-methoxyl-7,8-dihydrobenzofuran-1'-propylneolignan
- (7R,8S)-cedrusin
- Dihydrodehydrodiconiferyl alcoho
- Dihydrodehydrodiconiferyl alcohol
- (-)-(7R
- [
"(-)-(7R",
"8S)-Dihydrodehydrodiconiferyl alcohol"
]
- (2R,3S)-Dihydrodehydroconiferyl alcohol
- 7R,8S-Dihydrodehydrodiconiferyl alcohol
- CHEMBL253590
- 28199-69-1
- (2R,3S)-Dihydrodehydrodiconiferyl alcohol
- dihydrodehydrodiconiferylalcohol
- AKOS032948731
- (7'R,8'S)-dihydrodehydrodiconifenyl alcohol 9'-o-b-dxylopyranoside
- (-)-5-Benzofuranpropanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, (2R,3S)-
- 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
- UNII-2B91L473ZL
- 5-Benzofuranpropanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, (2R,3S)-
- Dihydrodehydroconiferyl alcohol, (7R,8S)-(-)-
- 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
- CHEBI:143258
- 2B91L473ZL
- Q27254512
- (-)-(7R, 8S)-dihydrodehydrodiconiferyl alcohol
- (-)-(2R,3S)-Dihydrodehydroconiferyl alcohol
- Dihydrodehydrodiconiferyl-alcohol
- 126253-41-6
- (-)-(7R,8S)-Dihydrodehydrodiconiferyl alcohol
- (-)-(7R,8S)-Dihydrodehydroconiferyl alcohol
- HY-N3745
- (7R,8S)-(-)-dihydrodehydroconiferyl alcohol
- CS-0024144
物化性质
实验特性
沸点 |
540.9±50.0 °C at 760 mmHg |
蒸气压 |
0.0±1.5 mmHg at 25°C |
闪点 |
280.9±30.1 °C |
溶解度 |
Very 微溶 (0.27 g/L) (25 ºC), |
颜色与性状 |
Powder |
密度 |
1.261±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
360.15728848g/mol |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
7 |
同位素质量 |
360.15728848g/mol |
重原子数量 |
26 |
复杂度 |
433 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
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) |
2.1 |
拓扑分子极性表面积 |
88.4Ų |
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