[4-[(5S,5aR,8aR)-5-[[7,8-dihydroxy-2-(methylaminomethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR)-5-[(8-hydroxy-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate

分子结构分类

有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯

中文名称

——

中文别名

——

英文名称

[4-[(5S,5aR,8aR)-5-[[7,8-dihydroxy-2-(methylaminomethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR)-5-[(8-hydroxy-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate

英文别名

——

[4-[(5S,5aR,8aR)-5-[[7,8-dihydroxy-2-(methylaminomethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR)-5-[(8-hydroxy-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate化学式

CAS

——

化学式

C60H71NO31P2

mdl

——

分子量

1364.1

InChiKey

PWIKUACXKXQWTO-RQXKYNICSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

2.68
重原子数：

94
可旋转键数：

16
环数：

14.0
sp3杂化的碳原子比例：

0.57
拓扑面积：

407
氢给体数：

8
氢受体数：

32

同类化合物

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分子结构分类

计算性质

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