2,2,2-trichloroethyl (6S,6aR,7R,13S,14R,16R)-16-(acetoxymethyl)-8-(allyloxy)-14-cyano-5,6-dihydroxy-9-methoxy-4,10-dimethyl-6,6a,7,13,14,16-hexahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-17-carboxylate | 442663-59-4

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

2,2,2-trichloroethyl (6S,6aR,7R,13S,14R,16R)-16-(acetoxymethyl)-8-(allyloxy)-14-cyano-5,6-dihydroxy-9-methoxy-4,10-dimethyl-6,6a,7,13,14,16-hexahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-17-carboxylate

英文别名

——

2,2,2-trichloroethyl (6S,6aR,7R,13S,14R,16R)-16-(acetoxymethyl)-8-(allyloxy)-14-cyano-5,6-dihydroxy-9-methoxy-4,10-dimethyl-6,6a,7,13,14,16-hexahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-17-carboxylate化学式

CAS

442663-59-4

化学式

C₃₃H₃₄Cl₃N₃O₁₀

mdl

——

分子量

739.006

InChiKey

HUZRXIXBFHJHMU-NKFXOELJSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

795.0±60.0 °C(Predicted)
密度：

1.55±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5.01
重原子数：

49.0
可旋转键数：

7.0
环数：

6.0
sp3杂化的碳原子比例：

0.48
拓扑面积：

160.25
氢给体数：

2.0
氢受体数：

12.0

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
——	2,2,2-trichloroethyl (1R,2R,3S,13R,15R,16S)-13-(acetyloxymethyl)-15-cyano-3,5,22-trihydroxy-21-methoxy-6,20-dimethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaene-24-carboxylate	442663-37-8	C₃₀H₃₀Cl₃N₃O₁₀	698.941
——	alcohol compound	442663-58-3	C₄₄H₄₄Cl₃N₃O₁₀	881.206
——	2,2,2-trichloroethyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-cyano-4-methoxy-5-methyl-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-57-2	C₅₀H₅₈Cl₃N₃O₁₀Si	995.469
——	2,2,2-trichloroethyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-10-cyano-12-formyl-4-methoxy-5-methyl-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-36-7	C₄₄H₄₂Cl₃N₃O₁₀	879.191
——	nitrile compound	442663-56-1	C₄₈H₅₆Cl₃N₃O₉Si	953.432
——	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
——	silanylether	442663-53-8	C₄₄H₅₃Cl₃N₂O₁₂Si	936.356
——	(3R,5R,6R,12S,12aS)-2,2,2-trichloroethyl 7-(benzyloxy)-3-[6-(benzyloxy)-7-methylbenzo[d][1,3]dioxol-4-yl]-5-{[(tert-butyldimethylsilyl)oxy]methyl}-8-methoxy-9-methyl-3,5,6,11,12,12a-hexahydro-2H-6,12-epiminobenzo[e]oxazolo[3,2-a]azocine-13-carboxylate	442663-35-6	C₄₇H₅₅Cl₃N₂O₉Si	926.406
——	2,2,2-trichloroethyl (1R,9S,12R)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(1R)-2-hydroxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-55-0	C₄₇H₅₅Cl₃N₂O₁₀Si	942.406
——	2,2,2-trichloroethyl (1R,9S,12R)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(1R)-2-hydroxy-1-(6-hydroxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-54-9	C₄₀H₄₉Cl₃N₂O₁₀Si	852.281
——	(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	C₃₈H₃₇Cl₃N₂O₁₁	804.078
——	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