[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate的二维分子结构

[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate

[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate · CAS 96405-32-2

中文名
暂无
中文别名
暂无
英文名
[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate
CAS
96405-32-2
CID
46779960
IUPAC 名称
[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate

名称与编号

中文名
暂无
中文别名
暂无
英文名
[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate
CAS
96405-32-2
CID
46779960
IUPAC 名称
[2-[[(1R,5R,7E,9E,11R,12R,14R,16S,18S)-16-[tert-butyl(dimethyl)silyl]oxy-11-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-18-methoxy-5,12-dimethyl-3-oxo-4,17-dioxabicyclo[12.3.2]nonadeca-7,9-dien-19-yl]oxy]-5-[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-3-yl] acetate

分子属性

分子式
C57H104N2O15Si2
分子量
1113.6 g/mol
精确质量
1112.69752368 Da
单同位素质量
1112.69752368 Da
XLogP
暂无
极性表面积
172 Ų
氢键供体
1
氢键受体
17
可旋转键
17
重原子数
76
净电荷
0
结构复杂度
1930

结构标识

InChIKey
HRFRCVVOQSNCSV-DIVKNDPPSA-N
SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]2C[C@@H](O[C@H](CC(=O)O1)[C@@H](C2OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)O[Si](C)(C)C(C)(C)C)(C)O)N(C)C)OC(=O)C)OC)O[Si](C)(C)C(C)(C)C)C)OC5CCC(C(O5)C)N(C)C
InChI
InChI=1S/C57H104N2O15Si2/c1-34-30-40-31-46(73-75(19,20)55(7,8)9)70-43(32-44(61)64-35(2)26-24-23-25-27-42(34)69-45-29-28-41(58(14)15)36(3)65-45)51(63-18)50(40)72-54-52(68-39(6)60)48(59(16)17)49(37(4)67-54)71-47-33-57(13,62)53(38(5)66-47)74-76(21,22)56(10,11)12/h23-25,27,34-38,40-43,45-54,62H,26,28-33H2,1-22H3/b24-23+,27-25+/t34-,35-,36?,37?,38?,40-,41?,42+,43-,45?,46+,47?,48?,49?,50?,51+,52?,53?,54?,57?/m1/s1

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