4-[3-[2-(2-carboxy-2-hydroxyethyl)-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

分子结构分类

有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基四氢萘木脂素

中文名称

——

中文别名

——

英文名称

4-[3-[2-(2-carboxy-2-hydroxyethyl)-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

英文别名

——

4-[3-[2-(2-carboxy-2-hydroxyethyl)-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid化学式

CAS

——

化学式

C₄₃H₄₂O₂₃

mdl

——

分子量

926.8

InChiKey

DAOFETOHYLHCHF-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

0
重原子数：

66
可旋转键数：

17
环数：

6.0
sp3杂化的碳原子比例：

0.33
拓扑面积：

395
氢给体数：

13
氢受体数：

23

同类化合物

鬼臼酸哌啶基腙氮氧自由基鬼臼酸鬼臼毒醇苦鬼臼毒醇米托肼甘尔布林珠子草次素消泡剂愈创木素异落叶松脂素异紫杉脂素9,9'-缩丙酮异紫杉脂素大侧柏酸四环[6.6.2.02,7.09,14]十六烷-2(7),3,5,9(14),10,12-己烯-15,15,16,16-四甲腈叶下珠新素五脂素A1 7,8,9,9-四去氢异落叶松树脂醇 7,14-二氢-7,14-乙桥二苯并[a,h]蒽-15,16-二羧酸二钠盐 7,14-二氢-7,14-乙桥二苯并[a,h]蒽-15,16-二甲酸 6,8-二溴-4-氧代-4H-1-苯并吡喃-3-甲醛 5a-苯基-5a,14c-二氢苯并[a]茚并[2,1-c]芴-5,10-二酮 1-苯基-1,2,3,4-四氢-萘-2,3-二羧酸 1-(3,4-二羟基苯基)-6,7-二羟基-1,2-二氢萘-2,3-二甲酸 1-(3,4-二甲氧基苯基)-1,2,3,4-四氢-6,7-二甲氧基-2,3-萘二甲醇 1-(3,4-二甲氧基-苯基)-6,7-二甲氧基-1,2,3,4-四氢-萘-2,3-二羧酸 (7S,8S,9R)-9-(3,4-二甲氧基苯基)-6,7,8,9-四氢-4-甲氧基-7,8-双(甲氧基甲基)萘并[1,2-D]-1,3-二恶茂 (7S,8R,9R)-9-(1,3-苯并二氧戊环-5-基)-7,8-二甲基-6,7,8,9-四氢苯并[g][1,3]苯并二氧戊环 (1S,2R,3S)-1-(3,4-二甲氧基苯基)-1,2,3,4-四氢-6,7-二甲氧基-2,3-二甲基-萘 (11S,12R)-9,10-乙桥-9,10-二氢蒽-11,12-二甲酸 (-)-南烛木树脂酚 (+)-异落叶松脂素 (1RS,2SR)-1,2-dihydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxynaphthalene-2,3-dicarboxylic acid dimethyl ester (+/-)-(1R,2S,3R)-12-benzyl-4-hydroxy-6,7-methylenedioxy-1-phenyl-2,3,4-trihydrobenzo[f]isoindol-13-one (+/-)-dimethoxy-epi-isopicropodophyllin N-benzyl lactam (+/-)-(1R,2R,3S)-12-benzyl-6,7-methylenedioxy-4-oxo-1-phenyl-2,3-dihydrobenzo[f]isoindol-13-one (+)-ovafolinin B (5R,6R)-methyl 7-(6-fluoro-1H-benzo[d]imidazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-5,6-dihydronaphtho[2,3-d][1,3]dioxole-6-carboxylate 2,5,8-trimethoxy-4a,9,9a,10-tetrahydro-9,10-[1,2]benzenoanthracene-1,4-dione 2,11-dichloro-13b-phenylbenzo[a]indeno[1,2-c]fluorene-9,14(8bH,13bH)-dione rel-(1R,4aR,9S,9aS,10R)-4a,9,9a,10-tetrahydro-9,10-diphenylspiro[9,10-epoxyanthracene-1(4H),2'-oxiran]-4-one 1,4-diphenyl-1,2,3,4-tetrahydro-1,4-epoxido-naphthalene-2,3-dicarboxylic acid diethyl ester rel-(1R,4aS,9R,9aS,10S)-4a,9,9a,10-tetrahydro-9,10-diphenylspiro[9,10-epoxyanthracene-1(4H),2'-oxetane]-4-one endo-2,5-diphenyl-3,4-benzo-14-oxatetracyclo<7.2.2.1^2,5.0^1,6>tetradec-3-ene 1a,2,7,7a-tetrahydro-2,7-epoxy-1a-methyl-1,2,7-triphenylbenzonaphthothiophenium triflate endo-2,5-diphenyl-3,4-benzo-14-oxatetracyclo<6.3.2.1^2,5.0^1,6>tetradec-3-ene (1S,8R,9S,10S)-1,8-diphenyl-10-methyl-11-oxa-tricyclo[6.2.1.0^2,7]undeca-2(7),3,5-triene-9-carboxaldegyde 13b-phenylbenzo[a]indeno[1,2-c]fluorene-9,14(8bH,13bH)-dione (1R,2R)-7-methyl-1,2,3-tris(4-methylphenyl)-1,2-dihydronaphthalene methyl 9-deoxy-9-oxo-α-apopicropodophyllate 9-n-hexylimine (15R)-13-(4-fluorophenyl)-10-hydroxy-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione

4-[3-[2-(2-carboxy-2-hydroxyethyl)-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

分子结构分类

计算性质

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