4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl]phenyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate | 1262017-10-6

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

英文别名

4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl]phenyl nonafluorobutane-1-sulfonate；1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonic acid 4-((5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl)phenyl ester；[4-[(5'R,8'S,11'R,13'S,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-17'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11'-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

CAS

1262017-10-6

化学式

C₃₅H₃₈F₁₄O₇S

mdl

——

分子量

868.726

InChiKey

WLDDUTNWLMVMPJ-LHQFNUPJSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.1
重原子数：

57
可旋转键数：

7
环数：

6.0
sp3杂化的碳原子比例：

0.77
拓扑面积：

111
氢给体数：

2
氢受体数：

21

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
——	(5R,8S,11R,13S,14S,17S)-11-[4-hydroxyphenyl]-5′,5′,13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2′-[1,3]dioxane]-5,17(4H)-diol	1262017-12-8	C₃₁H₃₉F₅O₅	586.64
——	(5R,8S,11R,13S,14S,17S)-11-[4-(benzyloxy)phenyl]-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17(4H)-diol	1262017-14-0	C₃₈H₄₅F₅O₅	676.764
——	(5′R,8′S,10′R,13′S,14′S,17′S)-5,5,13′-trimethyl-17′-(pentafluoroethyl)-1′,2′,7′,8′,12′,13′,14′,15′,16′,17′-decahydro-6′H-spiro[1,3-dioxane-2,3′-[5,10]epoxycyclopenta[a]phenanthren]-17′-ol	1026668-61-0	C₂₅H₃₃F₅O₄	492.527

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(5R,8S,11R,13S,14S,17S)-5',5',13-trimethyl-11-[4'-(methylsulphanyl)biphenyl-4-yl]-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17(4H)-diol	1262108-43-9	C₃₈H₄₅F₅O₄S	692.831
——	(5R,8S,11R,13S,14S,17S)-11-(4-ethynylphenyl)-5',5',13-trimethyl-17-pentafluoroethyl-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17-diol	1262017-28-6	C₃₃H₃₉F₅O₄	594.662
——	4-[4-((5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-pentafluoroethyl-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl)phenylethynyl]benzoic acid methyl ester	1262017-27-5	C₄₁H₄₅F₅O₆	728.797
——	chloroformic acid 3-[4-((5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-pentafluoroethyl-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl)phenyl]prop-2-ynyl ester	1262017-48-0	C₃₅H₄₀ClF₅O₆	687.144
——	methyl-4'-[(5R,8S,13S,14S,17S)-5,17-dihydroxy-5,5,13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl]biphenyl-4-carboxylate	1325226-42-3	C₃₉H₄₅F₅O₆	704.775
——	3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}propynal	1262017-16-2	C₃₄H₃₉F₅O₅	622.673
——	3-[4-((5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-pentafluoroethyl-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl)phenylethynyl]benzoic acid methyl ester	1262017-31-1	C₄₁H₄₅F₅O₆	728.797
——	(5R,8S,11R,13S,14S,17S)-11-[4-(3-hydroxyprop-1-yn-1-yl)phenyl]-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17-diol	1262017-09-3	C₃₄H₄₁F₅O₅	624.689
——	(5R,8S,11R,13S,14S,17S)-11-{4-[3-(2-hydroxyethoxy)prop-1-yn-1-yl]phenyl}-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17-diol	1262017-24-2	C₃₆H₄₅F₅O₆	668.742
——	tert-butyl [(3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}prop-2-yn-1-yl)oxy]acetate	1262017-21-9	C₄₀H₅₁F₅O₇	738.833
——	(2Z)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile	1262017-18-4	C₃₆H₄₀F₅NO₄	645.71