[(1S,2S,3S,5S,7R,9S,10S,11R)-5-[dimethyl(phenyl)silyl]-2-methyl-15-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-3-(phenylmethoxymethoxy)-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-12(17),13,15-trien-10-yl] acetate | 303998-29-0

分子结构分类

有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物

中文名称

——

中文别名

——

英文名称

[(1S,2S,3S,5S,7R,9S,10S,11R)-5-[dimethyl(phenyl)silyl]-2-methyl-15-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-3-(phenylmethoxymethoxy)-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-12(17),13,15-trien-10-yl] acetate

英文别名

——

[(1S,2S,3S,5S,7R,9S,10S,11R)-5-[dimethyl(phenyl)silyl]-2-methyl-15-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-3-(phenylmethoxymethoxy)-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-12(17),13,15-trien-10-yl] acetate化学式

CAS

303998-29-0

化学式

C₄₁H₄₃F₉O₈SSi

mdl

——

分子量

894.925

InChiKey

JNKMVULIDNOSEN-RHSGIQQLSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

740.6±60.0 °C(Predicted)
密度：

1.40±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

8.9
重原子数：

60
可旋转键数：

14
环数：

7.0
sp3杂化的碳原子比例：

0.54
拓扑面积：

109
氢给体数：

0
氢受体数：

17

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,3S,5S,7R,9S,10S,11R)-5-[dimethyl(phenyl)silyl]-2-methyl-3-(phenylmethoxymethoxy)-15-prop-2-enoxy-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-12(17),13,15-trien-10-yl] acetate	303998-27-8	C₄₀H₄₈O₆Si	652.903
——	(1S,3S,4aR,5aS,6S,6aR,12aS,12bS)-9-(allyloxy)-1-((benzyloxy)methoxy)-3-(dimethyl(phenyl)silyl)-12b-methyl-1,3,4,5a,6,6a,11,12,12a,12b-decahydro-2H-chryseno[6,6a-b]oxiren-6-ol	303998-64-3	C₃₈H₄₆O₅Si	610.866
——	[(6aR,8R,10S,10aS,10bR)-8-[dimethyl(phenyl)silyl]-10a-methyl-10-(phenylmethoxymethoxy)-2-prop-2-enoxy-6a,7,8,9,10,10b,11,12-octahydro-6H-chrysen-5-yl]oxy-triethylsilane	303998-23-4	C₄₄H₆₀O₄Si₂	709.129
——	(4bR,8R,10S,10aR,10bS)-8-[dimethyl(phenyl)silyl]-10a-methyl-10-(phenylmethoxymethoxy)-2-prop-2-enoxy-4b,7,8,9,10,10b,11,12-octahydrochrysen-5-one	303998-25-6	C₃₈H₄₄O₄Si	592.85
——	(4bR,6aR,8R,10S,10aS,10bS)-2-(allyloxy)-10-((benzyloxy)methoxy)-8-(dimethyl(phenyl)silyl)-10a-methyl-6,6a,7,8,9,10,10a,10b,11,12-decahydrochrysen-5(4bH)-one	303998-62-1	C₃₈H₄₆O₄Si	594.866
——	(2R,4S,4aS,4bR,12aR)-8-(allyloxy)-2-(dimethyl(phenyl)silyl)-4a-methyl-11-((triethylsilyl)oxy)-1,2,3,4,4a,4b,5,6,12,12a-decahydrochrysen-4-ol	303998-60-9	C₃₆H₅₂O₃Si₂	588.978

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[(1S,2R,5R,7R,9S,10S,11R)-5-[dimethyl(phenyl)silyl]-10-hydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-12(17),13,15-trien-15-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate	303998-31-4	C₃₁H₃₁F₉O₆SSi	730.721
——	1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid (1aS,1bR,3R,5aR,5bS,11bR,11cS)-3-(dimethyl-phenyl-silanyl)-1b-hydroxy-5a-methyl-5-oxo-1a,1b,2,3,4,5,5a,5b,6,7,11b,11c-dodecahydro-1-oxa-cyclopropa[g]chrysen-9-yl ester	303998-35-8	C₃₁H₃₁F₉O₆SSi	730.721
——	1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid (1aS,1bR,5aR,5bS,11bR,11cS)-1b-hydroxy-5a-methyl-5-oxo-1a,1b,2,5,5a,5b,6,7,11b,11c-decahydro-1-oxa-cyclopropa[g]chrysen-9-yl ester	303998-53-0	C₂₃H₁₉F₉O₆S	594.452
——	1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid (4bR,6aS,8R,10aR,10bS)-8-(dimethyl-phenyl-silanyl)-6a-hydroxy-10a-methyl-10-oxo-4b,6a,7,8,9,10,10a,10b,11,12-decahydro-chrysen-2-yl ester	303998-33-6	C₃₁H₃₁F₉O₅SSi	714.721
——	(1aS,1bR,3R,5aR,5bS,11bR,11cS)-9-[(S)-1-((1S,4R,6S)-1,6-Dimethyl-2-oxo-3,7-dioxa-bicyclo[4.1.0]hept-4-yl)-ethyl]-3-(dimethyl-ph