Carbamic acid, [(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10-dimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2,2,2-trichloroethyl ester | 874758-82-4

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

Carbamic acid, [(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10-dimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2,2,2-trichloroethyl ester

英文别名

[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5-hydroxy-6-methoxy-7,21-dimethyl-27-oxo-26-(2,2,2-trichloroethoxycarbonylamino)-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaen-22-yl] acetate

Carbamic acid, [(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10-dimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2,2,2-trichloroethyl ester化学式

CAS

874758-82-4

化学式

C₃₃H₃₃Cl₃N₄O₁₀S

mdl

——

分子量

784.071

InChiKey

VXVNQSWLYYZHIH-SQAAZCTOSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.1
重原子数：

51
可旋转键数：

6
环数：

7.0
sp3杂化的碳原子比例：

0.52
拓扑面积：

203
氢给体数：

3
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
——	6,16-(Epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-23-carboxylic acid, 5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-4,10-dimethyl-19-oxo-8-(2-propenyloxy)-20-[[(2,2,2-trichloroethoxy)carbonyl]amino]-, 2-propenyl ester, (6R,6aR,7R,13S,14R,16R,20R)-	874758-70-0	C₄₀H₄₁Cl₃N₄O₁₂S	908.21
——	prop-2-enyl (1R,2R,3R,11S,12R,14R,26R)-12-cyano-22-hydroxy-6-methoxy-7,21-dimethyl-27-oxo-5-prop-2-enoxy-26-(2,2,2-trichloroethoxycarbonylamino)-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-30-carboxylate	1054622-74-0	C₃₈H₃₉Cl₃N₄O₁₁S	866.173
——	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
——	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
——	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
——	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
——	(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
——	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
——	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
——	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
——	(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
——	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	C₃₇H₄₈N₂O₁₃	728.794
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