2(3H)-呋喃酮,4-[(S)-1,3-苯并二氧杂环戊醇-5-基羟甲基]-3-(1,3-苯并二氧杂环戊醇-5-基甲基)二氢-(3R,4R)- | 27675-77-0
2(3H)-呋喃酮,4-[(S)-1,3-苯并二氧杂环戊醇-5-基羟甲基]-3-(1,3-苯并二氧杂环戊醇-5-基甲基)二氢-(3R,4R)-
2(3H)-Furanone,4-[(S)-1,3-benzodioxol-5-ylhydroxymethyl]-3-(1,3-benzodioxol-5-ylmethyl)dihydro-,(3R,4R)-
27675-77-0
C20H18O7
370.35272
名称和标识符
InChIKey |
NHMODCAASJDQKF-UHFFFAOYSA-N |
Inchi |
InChI=1S/C20H18O7/c21-19(12-2-4-16-18(7-12)27-10-25-16)14-8-23-20(22)13(14)5-11-1-3-15-17(6-11)26-9-24-15/h1-4,6-7,13-14,19,21H,5,8-10H2 |
SMILES |
O=C1OCC(C(C2=CC=C3OCOC3=C2)O)C1CC1=CC=C2OCOC2=C1 |
别名信息
- 英文别名 -
- 2(3H)-Furanone,4-[(S)-1,3-benzodioxol-5-ylhydroxymethyl]-3-(1,3-benzodioxol-5-ylmethyl)dihydro-,(3R,4R)-
- Parabenzlactone
- 27675-77-0
- 2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylhydroxymethyl)-3-(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-(3alpha,4beta(R*)))-
- (3R,4R)-4-[(R)-1,3-benzodioxol-5-yl-hydroxymethyl]-3-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
- DTXSID60950335
- 4-[(2H-1,3-Benzodioxol-5-yl)(hydroxy)methyl]-3-[(2H-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
- para-Benzlactone
- 4-Benzylactone
物化性质
实验特性
PSA |
83.45 |
折射率 |
1.649 |
沸点 |
597°Cat760mmHg |
闪点 |
217.4°C |
密度 |
1.461 |
计算特性
精确分子量 |
370.10524 |
氢键供体数量 |
1 |
氢键受体数量 |
7 |
可旋转化学键数量 |
4 |
同位素质量 |
370.105 |
重原子数量 |
27 |
复杂度 |
554 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
2.5 |
拓扑分子极性表面积 |
83.4Ų |
相关文献
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1.
Asymmetric synthesis, stereochemistry and rearrangement reactions of naturally occurring 7′-hydroxylignano-9,9′-lactones
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2.
Stereochemistry and rearrangement reactions of hydroxylignanolactones
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3.
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4.
Recent progress towards transition metal-catalyzed synthesis of γ-lactams
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5.
Lignans, neolignans and related compounds
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