基本信息
- 标准SMILES
COc1c2cc(cc1C1(O)CN(C)C3CC(OC)C=CC31)OCO2- InChIKey
WGNHCYRPNUGSKT-UHFFFAOYSA-N- 分子式
- C18H23NO5
- 平均分子量
- 333.4 g/mol
- 单同位素质量
- 333.15762284
概述
Tazettadiol has been reported in Hippeastrum puniceum with data available.
名称与标识
- 首选名称
- Tazettadiol
- IUPAC
- 6-methoxy-3-(6-methoxy-2,4-dioxabicyclo[3.3.1]nona-1(8),5(9),6-trien-7-yl)-1-methyl-3a,6,7,7a-tetrahydro-2H-indol-3-ol
名称与别名
Tazettadiol6-methoxy-3-(6-methoxy-2,4-dioxabicyclo[3.3.1]nona-1(8),5(9),6-trien-7-yl)-1-methyl-3a,6,7,7a-tetrahydro-2H-indol-3-ol(3S)-1-Methyl-3abeta-(6-(hydroxymethyl)-1,3-benzodioxole-5-yl)-6b-methoxy-2,3,3a,6,7,7abeta-hexahydro-1H-indole-3b-ol(3S)-1-Methyl-3abeta-(6-(hydroxymethyl)-1,3-benzodioxole-5-yl)-6I2-methoxy-2,3,3a,6,7,7abeta-hexahydro-1H-indole-3I2-ol(3S)-1-Methyl-3abeta-[6-(hydroxymethyl)-1,3-benzodioxole-5-yl]-6b-methoxy-2,3,3a,6,7,7abeta-hexahydro-1H-indole-3b-ol(3S)-1-Methyl-3abeta-[6-(hydroxymethyl)-1,3-benzodioxole-5-yl]-6I2-methoxy-2,3,3a,6,7,7abeta-hexahydro-1H-indole-3I2-ol6-methoxy-3-(6-methoxy-2,4-dioxabicyclo(3.3.1)nona-1(8),5(9),6-trien-7-yl)-1-methyl-3a,6,7,7a-tetrahydro-2H-indol-3-olRefChem:187617466-66-0WGNHCYRPNUGSKT-UHFFFAOYSA-N6-Methoxy-3-[6-methoxy-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-7-yl]-1-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-3-ol #
性质
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 60.4 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 500
相关反应
0 条
当前筛选下没有反应记录。
化合物笔记
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