integracide A | 126348-77-4
分子结构分类
中文名称
——
中文别名
——
英文名称
integracide A
英文别名
integracide B；[(2R,3R,5R,10S,11R,12R,13R,17R)-2,3,11-trihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
CAS
126348-77-4
化学式
C32H50O5
mdl
——
分子量
514.746
InChiKey
VCOKSAAKIDFNQE-PGHPLGCHSA-N
BEILSTEIN
——
EINECS
——
-
物化性质
-
计算性质
-
ADMET
-
安全信息
-
SDS
-
制备方法与用途
-
上下游信息
-
文献信息
-
表征谱图
-
同类化合物
-
相关功能分类
-
相关结构分类
计算性质
-
辛醇/水分配系数(LogP)：5.6
-
重原子数：37
-
可旋转键数：7
-
环数：4.0
-
sp3杂化的碳原子比例：0.78
-
拓扑面积：87
-
氢给体数：3
-
氢受体数：5
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 —— A-108835 —— C32H50O8S 594.81 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-2,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-aminoacetate 2,2,2-trifluoroacetate —— C34H53NO6 571.798 —— (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl 2-aminoacetate 2,2,2-trifluoroacetate —— C34H53NO6 571.798 —— [(2S,4S,6R,8R,15R,16R,17R,18R)-18-hydroxy-2,7,7,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadeca-1(11),12-dien-17-yl] acetate —— C32H48O4 496.731 —— 4-((2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-2,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-4-oxobutanoic acid —— C36H54O8 614.82 —— O4-[(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-2,11-dihydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl] O1-methyl butanedioate —— C37H56O8 628.847 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-3,11-dihydroxy-2-(methoxymethoxy)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate —— C34H54O6 558.799 —— 4-((2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yloxy)-4-oxobutanoic acid 276703-81-2 C36H54O8 614.82 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-2,11-dihydroxy-3-(methoxymethoxy)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate —— C34H54O6 558.799 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3-(2-aminoacetyl)oxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-11-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] 2-aminoacetate —— C36H56N2O7 628.85 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-11-hydroxy-2,3-bis(methoxymethoxy)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate —— C36H58O7 602.852 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-3,11-dihydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] 4-(hydroxyamino)-4-oxo-butanoate —— C36H55NO8 629.835 —— [(2S,4R,8R,10R,17R,18R,19R,20R)-20-hydroxy-2,6,6,9,9,18-hexamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icosa-1(13),14-dien-19-yl] acetate —— C35H54O5 554.811 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-3,11,12-triacetoxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] acetate —— C38H56O8 640.858 —— (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl 2-(tert-butoxycarbonylamino)acetate —— C39H61NO8 671.915 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3-[2-(tert-butoxycarbonylamino)acetyl]oxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-11-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] 2-(tert-butoxycarbonylamino)acetate —— C46H72N2O11 829.084 —— (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl benzoate —— C39H54O6 618.854 —— (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-2,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate —— C39H54O6 618.854 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3-benzoyloxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-11-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] benzoate —— C46H58O7 722.962 —— (2R,3R,5R,10S,11R,12R,13R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthrene-2,3,11,12-tetrol 126348-84-3 C30H48O4 472.709 —— [(2R,3R,5R,10S,12R,13R,17R)-2,3-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-11-oxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate —— C32H48O5 512.73 —— (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)acetate 276703-92-5 C49H63NO8 794.041 —— [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxy-11-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate —— C66H76N2O11 1073.34 - 1
- 2
- 3
反应信息
-
作为反应物：描述：