[(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

分子结构分类

有机化合物 - 苯类化合物 - 芴

中文名称

——

中文别名

——

英文名称

[(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

英文别名

——

[(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化学式

CAS

290813-46-6

化学式

C₄₈H₄₉Cl₃N₄O₁₁S

mdl

——

分子量

996.362

InChiKey

INYVDJLKVLYOHV-QLAFDEMHSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.4
重原子数：

67
可旋转键数：

15
环数：

9.0
sp3杂化的碳原子比例：

0.46
拓扑面积：

204
氢给体数：

2
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
——	[(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
——	tert-butyl N-[(2S)-1-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-19-(methoxymethoxy)-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methylamino]-1-oxopropan-2-yl]carbamate	308359-25-3	C₃₆H₄₇N₅O₉	693.797
——	tert-butyl N-[(2S)-1-[[(1R,2S,10R,12R,13S)-12-cyano-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methylamino]-1-oxopropan-2-yl]carbamate	308359-24-2	C₃₄H₄₃N₅O₈	649.744
——	cyanosafracin B	——	C₂₉H₃₅N₅O₆	549.627
——	2,2,2-trichloroethyl N-[[(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]carbamate	308359-29-7	C₃₄H₃₉Cl₃N₄O₈	738.065
——	2,2,2-trichloroethyl N-[[(1R,2S,13R,15R,16S)-15-cyano-22-hydroxy-21-methoxy-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]carbamate	308359-28-6	C₃₂H₃₅Cl₃N₄O₇	694.011
他比特啶半合成中间体	(6aS,7R,13S,14R,16R)-6,6a,7,13,14,16-Hexahydro-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-(2-propen-1-yloxy)-7