2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)- | 874758-61-9

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)-

英文别名

prop-2-enyl (1R,3S)-3-(acetyloxymethyl)-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)-化学式

CAS

874758-61-9

化学式

C₃₇H₄₈N₂O₁₃

mdl

——

分子量

728.794

InChiKey

ZQZKUMYJGHQVQV-JQFLLDSISA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.3
重原子数：

52
可旋转键数：

21
环数：

4.0
sp3杂化的碳原子比例：

0.49
拓扑面积：

170
氢给体数：

2
氢受体数：

14

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
海鞘素-类似物-1	tert-butyl (4R)-4-[(1R,3S)-3-(acetyloxymethyl)-7-methoxy-6-methyl-8-prop-2-enoxy-2-prop-2-enoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate	874758-58-4	C₃₁H₄₄N₂O₉	588.698
——	2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-amino-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)-	874758-59-5	C₂₃H₃₂N₂O₇	448.516
——	(1R,3S)-8-Allyloxy-1-((R)-3-tert-butoxycarbonyl-2,2-dimethyl-oxazolidin-4-yl)-3-hydroxymethyl-7-methoxy-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid allyl ester	874758-72-2	C₂₉H₄₂N₂O₈	546.661
——	tert-butyl (R)-4-((1R,3S)-2-((allyloxy)carbonyl)-8-hydroxy-3-(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,2-dimethyloxazolidine-3-carboxylate	874758-71-1	C₂₆H₃₈N₂O₈	506.596
——	tert-butyl (4R)-4-[(1R,3S)-8-hydroxy-3-(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate	874758-56-2	C₂₂H₃₄N₂O₆	422.522

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(1R,3S)-3-Acetoxymethyl-8-allyloxy-1-((R)-2-(tert-butyl-dimethyl-silanyloxy)-1-{[(R)-ethoxycarbonyl-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-methyl]-amino}-ethyl)-7-methoxy-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid allyl ester	874758-73-3	C₄₃H₆₂N₂O₁₃Si	843.056
——	2(1H)-Isoquinolinecarboxylic acid, 1-[(1R)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-3,4-dihydro-3-(hydroxymethyl)-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)-	874758-63-1	C₄₁H₆₀N₂O₁₂Si	801.019
——	prop-2-enyl (1R,2R,6R,8R,9S)-8-cyano-14-methoxy-6-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-13-methyl-5-oxo-15-prop-2-enoxy-4-oxa-7,17-diazatetracyclo[7.7.1.02,7.011,16]heptadeca-11(16),12,14-triene-17-carboxylate	874758-74-4	C₃₄H₃₇N₃O₁₀	647.682
——	(1R,9S,10R,12R)-11-[(R)-2-Acetoxy-1-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-allyloxy-10-cyano-12-hydroxymethyl-4-methoxy-5-methyl-11,13-diaza-tricyclo[7.3.1.0^2,7]trideca-2,4,6-triene-13-carboxylic acid allyl ester	874758-78-8	C₃₆H₄₃N₃O₁₁	693.751
——	1,5-Imino-3-benzazocine-3(2H)-acetic acid, 4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,4,5,6-tetrahydro-9-methoxy-\|A-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-8-methyl-10-(2-propenyloxy)-11-[(2-propenyloxy)carbonyl]-, ethyl ester, (\|AR,1R,2R,4R,5S)-	874758-64-2	C₄₂H₅₇N₃O₁₁Si	808.014
——	prop-2-enyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-10-cyano-12-formyl-4-methoxy-5-methyl-3-prop-2-enoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	874758-66-4	C₃₆H₄₁N₃O₁₁	691.735
——	1,5-Imino-3-benzazocine-11-carboxylic acid, 3-[(1R)-2-(acetyloxy)-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-9-methoxy-8-methyl-10-(2-propenyloxy)-, 2-propenyl ester, (1R,2R,4R,5S)-	874758-65-3	C₄₂H₅₇N₃O₁₁Si	808.014
——	1,5-Imino-3-benzazocine-11-carboxylic acid, 4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-3-[(1R)-2-hydroxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-9-methoxy-8-methyl-10-(2-propenyloxy)-, 2-propenyl ester, (1R,2R,4R,5S)-	874758-76-6	C₄₀H₅₅N₃O₁₀Si	765.976
——	7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 16-[(acetyloxy)methyl]-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-8-(2-propenyloxy)-, 2-propenyl ester, (6S,6aR,7R,13S,14R,16R)-	874758-67-5	C₃₄H₃₇N₃O₁₀	647.682
——	7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-16-(hydroxymethyl)-9-methoxy-4,10-dimethyl-8-(2-propenyloxy)-, 2-propenyl ester, (6S,6aR,7R,13S,14R,16R)-	874758-68-6	C₃₂H₃₅N₃O₉	605.645
——	7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-16-[[(2R)-1-oxo-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-3-[[tris(4-methoxyphenyl)methyl]thio]propoxy]methyl]-8-(2-propenyloxy)-, 2-propenyl ester, (6S,6aR,7R,13S,14R,16R)-	874758-69-7	C₆₀H₆₁Cl₃N₄O₁₅S	1216.59