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

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

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)-

英文别名

prop-2-enyl (1R,2R,3R,11S,12R,14R,26R)-22-acetyloxy-12-cyano-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),5,7,15,20,22-hexaene-30-carboxylate

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)-化学式

CAS

874758-70-0

化学式

C₄₀H₄₁Cl₃N₄O₁₂S

mdl

——

分子量

908.21

InChiKey

DXVHALSUOZTLAR-AMTADKHSSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.1
重原子数：

60
可旋转键数：

12
环数：

7.0
sp3杂化的碳原子比例：

0.47
拓扑面积：

210
氢给体数：

1
氢受体数：

15

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
——	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-methox