(1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.0^2,7]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester | 442663-52-7

分子结构分类

有机化合物 - 有机杂环化合物 - 四氢异喹啉

中文名称

——

中文别名

——

英文名称

(1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.0^2,7]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester

英文别名

2,2,2-trichloroethyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate

(1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.0<sup>2,7</sup>]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester化学式

CAS

442663-52-7

化学式

C₃₈H₃₇Cl₃N₂O₁₁

mdl

——

分子量

804.078

InChiKey

GGNOWZAWZQYYQH-QYDYLWNGSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.5
重原子数：

54
可旋转键数：

13
环数：

6.0
sp3杂化的碳原子比例：

0.37
拓扑面积：

139
氢给体数：

0
氢受体数：

11

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
——	tert-butyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-51-6	C₄₀H₄₄N₂O₁₁	728.796
——	tert-butyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-32-3	C₃₉H₄₄N₂O₁₂S	764.851
——	tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3-oxo-2H-pyrazine-1-carboxylate	442663-31-2	C₃₉H₄₅IN₂O₁₂S	892.763
——	tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3,6-dioxopiperazine-1-carboxylate	442663-50-5	C₃₉H₄₅IN₂O₁₃S	908.762
——	tert-butyl N-[(2S)-1-[[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-1-oxopropan-2-yl]carbamate	442663-29-8	C₆₁H₇₂IN₃O₁₂Si	1194.25
——	Acetic acid (R)-2-{[(S)-3-(3-benzyloxy-2-iodo-4-methoxy-5-methyl-phenyl)-2-tert-butoxycarbonylamino-propionyl]-[1-(4-methoxy-phenylcarbamoyl)-ethyl]-amino}-2-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl ester	442663-48-1	C₄₇H₅₆IN₃O₁₃	997.878
——	(2R)-2-((3S)-3-(3-(benzyloxy)-2-iodo-4-methoxy-5-methylbenzyl)-6-methyl-2,5-dioxopiperazin-1-yl)-2-(7-methyl-6-((methylsulfonyl)oxy)benzo[d][1,3]dioxol-4-yl)ethyl acetate	442663-49-2	C₃₄H₃₇IN₂O₁₁S	808.645
——	tert-butyl ((2S)-3-(3-(benzyloxy)-2-iodo-4-methoxy-5-methylphenyl)-1-(((R)-2-hydroxy-1-(6-(methoxymethoxy)-7-methylbenzo[d][1,3]dioxol-4-yl)ethyl)(1-((4-methoxyphenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)carbamate	442663-47-0	C₄₅H₅₄IN₃O₁₂	955.841
——	[(2R)-2-(6-hydroxy-7-methyl-1,3-benzodioxol-4-yl)-2-[(5S)-5-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]ethyl] acetate	442663-30-1	C₃₃H₃₅IN₂O₉	730.553
——	[7-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[[(1R)-2-hydroxy-2-methyl-1-phenylpropyl]amino]ethyl]-5-(methoxymethoxy)-1,3-benzodioxol-4-yl] trifluoromethanesulfonate	442663-23-2	C₃₈H₄₄F₃NO₉SSi	775.915
——	Trifluoro-methanesulfonic acid 7-((3R,5R)-6,6-dimethyl-2-oxo-5-phenyl-morpholin-3-yl)-5-methoxymethoxy-benzo[1,3]dioxol-4-yl ester	442663-41-4	C₂₂H₂₂F₃NO₉S	533.479
——	(R)-1-(((R)-2-((tert-butyldiphenylsilyl)oxy)-1-(6-(methoxymethoxy)-7-methylbenzo[d][1,3]dioxol-4-yl)ethyl)amino)-2-methyl-1-phenylpropan-2-ol	442663-43-6	C₃₈H₄₇NO₆Si	641.88
——	(3R,5R)-3-[7-hydroxy-6-(methoxymethoxy)-1,3-benzodioxol-4-yl]-6,6-dimethyl-5-phenylmorpholin-2-one	360778-72-9	C₂₁H₂₃NO₇	401.416
——	7-((R)-2-hydroxy-1-(((R)-2-hydroxy-2-methyl-1-phenylpropyl)amino)ethyl)-5-(methoxymethoxy)benzo[d][1,3]dioxol-4-yl trifluoromethanesulfonate	442663-42-5	C₂₂H₂₆F₃NO₉S	537.511
——	(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethanamine	442663-24-3	C₂₈H₃₅NO₅Si	493.675

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2,2,2-trichloroethyl (1R,9S,12R)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-12-(hydroxymethyl)-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-34-5	C₃₈H₃₉Cl₃N₂O₁₂	822.093

(1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester | 442663-52-7

分子结构分类

计算性质

上下游信息

(1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.0^2,7]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester | 442663-52-7