Carbamic acid, [(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-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 | 366020-69-1

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-4,10,23-trimethyl-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-7,21,30-trimethyl-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-4,10,23-trimethyl-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

366020-69-1

化学式

C₃₄H₃₅Cl₃N₄O₁₀S

mdl

——

分子量

798.098

InChiKey

RNZAATDMSFUVBN-GIUIFIHRSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.60±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.6
重原子数：

52
可旋转键数：

6
环数：

7.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

194
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
——	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	C₃₃H₃₃Cl₃N₄O₁₀S	784.071
——	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
——	[(1R,2S,13R,15R,16S)-15-cyano-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl (2S)-3-(9H-fluoren-9-ylmethylsulfanyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoate	308359-30-0	C₅₁H₅₃Cl₃N₄O₁₀S	1020.43
——	[(1R,2S,13R,15R,16S)-15-cyano-4-hydroxy-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-oxo-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-6,11,18(23),19,21-pentaen-13-yl]methyl (2S)-3-(9H-fluoren-9-ylmethylsulfanyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoate	290813-46-6	C₄₈H₄₉Cl₃N₄O₁₁S	996.362
——	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-d