methyl 3,4-O-isopropylidenequinate | 97373-88-1
中文名称
——
中文别名
——
英文名称
methyl 3,4-O-isopropylidenequinate
英文别名
Methyl (3ar,5r,7r,7as)-5,7-dihydroxy-2.2-dimethylhexahydro-1,3-benzodioxole-5-carboxylate；methyl (3aR,5R,7R,7aS)-5,7-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate
CAS
97373-88-1
化学式
C11H18O6
mdl
——
分子量
246.26
InChiKey
IBPKDWZYGYVADJ-HGIWHZBTSA-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)：-0.5
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重原子数：17
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可旋转键数：2
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环数：2.0
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sp3杂化的碳原子比例：0.91
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拓扑面积：85.2
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氢给体数：2
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氢受体数：6
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 —— 3,4-isopropylidenequinide 130474-38-3 C10H16O6 232.233 —— (1S,3R,4S,5R)-3,4-O-isopropylidene-1,5-quinic lactone 32384-42-2 C10H14O5 214.218 右旋奎宁酸 Quinic acid 77-95-2 C7H12O6 192.169 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (3aR,5R,7R,7aS)-5-Hydroxy-7-methoxymethoxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester 205932-23-6 C13H22O7 290.313 —— 2-trimethylsilyl 3,4-O-isopropylidene quinate 342824-27-5 C15H28O6Si 332.469 (2S,3S,4aR,6S,8R,8aR)-八氢-6,8-二羟基-2,3-二甲氧基-2,3-二甲基-1,4-苯并二氧杂环己-6-羧酸甲酯 (2S,3S,4aR,6S,8R,8aR)-6,8-Dihydroxy-2,3-dimethoxy-2,3-dimethyl-octahydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester 176798-26-8 C14H24O8 320.34 —— methyl (3aR,5R,7R,7aS)-7-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-5-hydroxyspiro[4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-carboxylate 101927-44-0 C22H34O7 410.508 —— methyl 3,4-O-isopropylidene-5-oxoquinate 97205-15-7 C11H16O6 244.244 —— methyl 5-O-p-methoxybenzyl-3,4-O-isopropylidene quinate 342824-26-4 C19H26O7 366.411 —— methyl (3AR,5S,7R,7AR)-5-hydroxy-2,2-dimethyl-7-[(methylsulfonyl)oxy]hexahydro-1,3-benzodioxole-5-carboxylate 335418-80-9 C12H20O8S 324.352 —— (3aR,4R,5R,7R,7aS)-5-Hydroxymethyl-7-methoxymethoxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-4,5-diol 324528-28-1 C12H22O7 278.302 —— methyl (1R,3R,7S,8R,9S)-8-hydroxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate 199338-52-8 C14H22O7 302.324 —— (3aR,5R,7R,7aS)-5-Hydroxy-7-(4-methoxy-benzyloxy)-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid 342824-33-3 C18H24O7 352.384 —— methyl (3AR,5S,7R,7AR)-7-(benzoyloxy)-5-hydroxy-2,2-dimethylhexahydro-1,3-benzodioxole-5-carboxylate 335418-45-6 C18H22O7 350.368 —— (3aR,4aR,7aS,8R,8aS)-6,6-Diethyl-8-hydroxy-2,2-dimethyl-tetrahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxole-3a-carboxylic acid methyl ester 244231-05-8 C16H26O7 330.378 —— methyl (1R,3R,7S,8R,9S)-11,11-diethyl-8-hydroxy-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate 244230-97-5 C16H26O7 330.378 —— (3'aR,4R,4'R,7'R,7'aS)-7'-(methoxymethoxy)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4'-ol 324528-29-2 C15H26O7 318.367 —— (3aR,5R,7R,7aS)-5-Hydroxy-2,2-dimethyl-7-((2S,3R,4S,5S,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-hexahydro-benzo[1,3]dioxole-5-carboxylic acid 342824-23-1 C44H50O11 754.874 —— [(1S,3R,7S,8R,9S)-8-hydroxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-1-yl]methyl acetate 205932-29-2 C15H24O7 316.351 —— (1S,2R,3S,7R,9R)-7-(2-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol 244230-92-0 C15H26O6 302.368 —— methyl (3aR,5R,6S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate 199338-50-6 C17H32O7Si 376.522 —— Acetic acid (3aS,4aR,7aS,8R,8aS)-6,6-diethyl-8-hydroxy-2,2-dimethyl-tetrahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-3a-ylmethyl ester 244231-07-0 C17H28O7 344.405 —— (1S,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol 244230-95-3 C16H28O6 316.395 —— [(1S,3R,7S,8R,9S)-11,11-diethyl-8-hydroxy-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-1-yl]methyl acetate 244230-99-7 C17H28O7 344.405 —— (3aS,4R,4aS,7aR,8aR)-2,2-Diethyl-7a-(1-hydroxy-1-methyl-ethyl)-6,6-dimethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-4-ol 244231-09-2 C17H30O6 330.422 —— (3aS,4R,4aS,7aR,8aR)-6,6-Diethyl-7a-(1-hydroxy-1-methyl-ethyl)-2,2-dimethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-4-ol 244231-00-3 C17H30O6 330.422 —— methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate 199338-53-9 C14H20O7 300.309 —— methyl (1R,3R,7R,9R)-5,5-diethyl-11,11-dimethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate 244230-78-2 C16H24O7 328.362 —— methyl (1R,3R,7R,9R)-11,11-diethyl-5,5-dimethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate 244230-75-9 C16H24O7 328.362 —— (3aR,5S,7aR)-2,2-Dimethyl-7-oxo-5-trimethylsilanyloxy-hexahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester 97205-17-9 C14H24O6Si 316.426 —— (2R,3R,5S,6R)-2,3:5,6-di(Me2CO2)-5-(AcOCH2)cC6H5-1-one 199338-61-9 C15H22O7 314.335 —— (1R,3R,7R,9R)-7-(2-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one 244230-72-6 C15H24O6 300.352 —— (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one 244230-74-8 C16H26O6 314.379 —— (1R,3R,7R,9R)-11,11-diethyl-7-(2-hydroxypropan-2-yl)-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one 244230-80-6 C17H28O6 328.406 —— (1S,2R,3S,7R,9R)-7-(fluoromethyl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol 244230-90-8 C13H21FO5 276.305 —— (1R,3R,7R,9R)-5,5-diethyl-7-(2-hydroxypropan-2-yl)-11,11-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one 244230-77-1 C17H28O6 328.406 —— 7-[5-acetoxy-3-benzoyloxy-6-benzoyloxymethyl-4-(3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-5-hydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid 342824-29-7 C66H70O19 1167.27 —— (3aR,5S,7R,7aR)-5-Hydroxy-2,2-dimethyl-7-(toluene-4-sulfonyloxy)-hexahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester 187227-25-4 C18H24O8S 400.45 —— methyl chlorogenate —— C17H20O