(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

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

(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

英文别名

(5'R,8'S,11'R,13'S,14'S,17'S)-11'-[4-(3-hydroxyprop-1-ynyl)phenyl]-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]-5',17'-diol

(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化学式

CAS

1262017-09-3

化学式

C₃₄H₄₁F₅O₅

mdl

——

分子量

624.689

InChiKey

LZUSMZIYRHTGMI-MWJLSRKKSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.8
重原子数：

44
可旋转键数：

3
环数：

6.0
sp3杂化的碳原子比例：

0.71
拓扑面积：

79.2
氢给体数：

3
氢受体数：

10

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
——	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	C₃₅H₃₈F₁₄O₇S	868.726
——	(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
——	3,3-(2,2-dimethyl-trimethylenedioxy)-5α,10α-epoxy-estr-9(11)-en-17-one	91175-93-8	C₂₃H₃₂O₄	372.505

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)-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
——	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
——	(5R,8S,11R,13S,14S,17S)-11-[4-(3-aminoprop-1-yn-1-yl)phenyl]-17-pentafluoroethyl-5',5',13-trimethyl-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17-diol	1262017-41-3	C₃₄H₄₂F₅NO₄	623.704
——	(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
——	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
——	(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
——	(2E)-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	1262017-17-3	C₃₆H₄₀F₅NO₄	645.71
——	(5R,8S,11R,13S,14S,17S)-11-[4-(3-azidoprop-1-yn-1-yl)phenyl]-17-pentafluoroethyl-5',5',13-trimethyl-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17-diol	1262017-36-6	C₃₄H₄₀F₅N₃O₄	649.701
——	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
——	ethyl (2E)-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-ynoate	1262017-19-5	C₃₈H₄₅F₅O₆	692.764
——	allylcarbamic acid 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]dioxan]-11-yl)phenyl)prop-2-yn-1-yl ester	1262017-42-4	C₃₈H₄₆F₅NO₆	707.778
——	ethyl (2E/Z,4E/Z)-7-{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}hepta-2,4-dien-6-ynoate	1262017-20-8	C₄₀H₄₇F₅O₆	718.802
——	(E/Z)-[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]propynal O-benzyl oxime	1262017-37-7	C₄₁H₄₆F₅NO₅	727.812
——	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
——	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
——	3-{(E/Z)-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)phenyl]but-1-en-3-ynyl}benzoic acid methyl ester	1262017-25-3	C₄₃H₄₇F₅O₆	754.835
——	(8S,11R,13S,14S,17S)-17-hydroxy-11-[4-(3-hydroxyprop-1-yn-1-yl)phenyl]-13-methyl-17-pentafluoroethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	1262016-38-5	C₂₉H₂₉F₅O₃	520.539
——	[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(perfluoroethyl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]propiolic acid	1262016-39-6	C₂₉H₂₇F₅O₄	534.523
——	[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(perfluoroethyl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]propiolic acid methyl ester	1262016-40-9