<1S-<1α(4R*,5S*),3α,4β,5α,6α(2E,4R*,6R*),7β>>-1-(4-hydroxy-5-methyl-3-methylene-6-phenylhexyl)-4,6,7-trihydroxy-2,8-dioxabicyclo<3.2.1>octane-3,4,5-tricarboxylic acid, 6-(4,6-dimethyl-2-octenoate) 7-(1-methoxy-1-methylethyl ether) ester | 146968-12-9
中文名称
——
中文别名
——
英文名称
<1S-<1α(4R*,5S*),3α,4β,5α,6α(2E,4R*,6R*),7β>>-1-(4-hydroxy-5-methyl-3-methylene-6-phenylhexyl)-4,6,7-trihydroxy-2,8-dioxabicyclo<3.2.1>octane-3,4,5-tricarboxylic acid, 6-(4,6-dimethyl-2-octenoate) 7-(1-methoxy-1-methylethyl ether) ester
英文别名
——
CAS
146968-12-9
化学式
C49H76O14
mdl
——
分子量
889.134
InChiKey
IRVOWWFYITUBNW-VVCXDMCASA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
计算性质
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辛醇/水分配系数(LogP)：7.49
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重原子数：63.0
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可旋转键数：19.0
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环数：3.0
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sp3杂化的碳原子比例：0.71
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拓扑面积：182.58
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氢给体数：2.0
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氢受体数：14.0
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— <1S-<1α(4R*,5R*),3α,4β,5α,6α(2E,4R*,6R*),7β>>-1-<4-(acetyloxy)-5-methyl-3-methylene-6-phenylhexyl>4,6,7-trihydroxy-2,8-dioxabicyclo<3.2.1>octane-3,4,5-tricarboxylic acid, 6-(4,6-dimethyl-2-octenoate), 3,4,5-tris(1,1-dimethylethyl) ester 144358-24-7 C47H70O14 859.064 (7S)-2,7-脱水-3,4-二-C-羧基-8,9,10,12,13-五脱氧-10-亚甲基-12-(苯基甲基)-L-赤式-L-甘油-D-阿卓-7-十三碳酮-7,4-呋喃并音波酸11-乙酸酯5-[(2E,4S,6S)-4,6-二甲基-2-辛烯酸酯] zaragozic acid A 142561-96-4 C35H46O14 690.742 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-((4S,5R)-5-methyl-3-methylene-6-phenyl-4-propionyloxy-hexyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 146968-13-0 C52H80O15 945.198 —— (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-3,4-Dihydroxy-5-methyl-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 158999-97-4 C48H76O15 893.122 —— <1S-<1α(4R*,5S*),3α,4β,5α,6α(2E,4R*,6R*),7β>>-1-(5-methyl-3-methylene-4(n-propionyloxy)-6-phenylhexyl)-4,6,7-trihydroxy-2,8-dioxabicyclo<3.2.1>octane-3,4,5-tricarboxylic acid, 6-(4,6-dimethyl-2-octenoate) 146007-82-1 C36H48O14 704.769 —— (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4-hydroxy-1-((4S,5R)-4-hydroxy-5-methyl-3-oxo-6-phenyl-hexyl)-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 157192-09-1 C48H74O15 891.107 —— (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-((E)-(R)-5-methyl-6-phenyl-hex-3-enyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 158901-92-9 C48H74O13 859.108 —— (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-((4S,5R)-5-methyl-3-methylene-6-phenyl-4-propylcarbamoyloxy-hexyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 146968-18-5 C53H83NO15 974.24 —— (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-((4S,5R)-5-methyl-3-methylene-6-phenyl-4-phenylcarbamoyloxy-hexyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 146968-20-9 C56H81NO15 1008.26 —— tri-tert-butyl (1S,3S,4S,5R,6R,7R)-6-(((4S,6S,E)-4,6-dimethyloct-2-enoyl)oxy)-4-hydroxy-7-((2-methoxypropan-2-yl)oxy)-1-(2-((4S,5S)-5-((R)-1-phenylpropan-2-yl)-2-thioxo-1,3-dioxolan-4-yl)ethyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate 158901-91-8 C49H74O15S 935.184 —— (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-(3-oxo-propyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 146968-47-0 C38H62O14 742.902 —— (1S,3S,4S,5R,6R,7R)-6-Butyryloxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-((E)-(R)-5-methyl-6-phenyl-hex-3-enyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl ester 158901-93-0 C42H64O13 776.962 —— (1S,3S,4S,5R,6R,7R)-6-Butyryloxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-((E)-6-phenyl-hex-3-enyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tri-tert-butyl e