[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate | 1531631-65-8

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

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

英文别名

——

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate化学式

CAS

1531631-65-8

化学式

C₄₈H₅₈N₂O₁₇

mdl

——

分子量

934.992

InChiKey

LDMYVUVPUGUSHR-IKNIDKHFSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.77
重原子数：

67.0
可旋转键数：

10.0
环数：

7.0
sp3杂化的碳原子比例：

0.56
拓扑面积：

238.06
氢给体数：

2.0
氢受体数：

17.0

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
——	[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-15-hydroxy-9-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate	1531632-22-0	C₃₄H₄₁NO₁₃	671.698
——	[(1S,2S,3R,4S,7R,9S,10S,12R,16R)-4-acetyloxy-12-(dimethylcarbamoyloxy)-9-methoxy-10,14,20,20-tetramethyl-11,15,18-trioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate	1531632-53-7	C₃₄H₃₉NO₁₃	669.683
——	10-dimethylcarbamoyl-7-methoxy baccatin III	1531632-15-1	C₃₃H₄₃NO₁₁	629.705
——	[(1R,2S,3R,4S,7R,9S,10S,12R,16R)-4-acetyloxy-12-(dimethylcarbamoyloxy)-1,16-dihydroxy-9-methoxy-10,14,17,17-tetramethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate	1531632-46-8	C₃₃H₄₁NO₁₂	643.688
——	[(1S,2S,3R,4S,7R,9S,10S,12R)-4-acetyloxy-12-(dimethylcarbamoyloxy)-1-hydroxy-9-methoxy-10,14,17,17-tetramethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate	1531632-39-9	C₃₃H₄₁NO₁₁	627.689
——	7-triethylsilyl-10-dimethylcarbamoyl-10-deacetylbaccatin III	160084-73-1	C₃₈H₅₅NO₁₁Si	729.94
7-O-(三乙基硅烷基)-10-去乙酰基浆果赤霉素III