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CAS 82543-16-6

(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one

登记编号(VIII)169995-1-a、(IX)169995-4-a、(VI)169995-8-a、(I)169995-11-a,(IX)169995-11-b、(I)169995-14-a、(I)169995-17-a、(I)169995-18-a、(I)169995-19-a、(I)169995-20-a、(I)169995-22-a、(II)169995-23-a、(I)169995-24-a

应用背景(按来源药适应症)

避孕屈螺酮口腔炎,口疮屈螺酮经前焦虑性障碍屈螺酮经前期综合征屈螺酮痛经屈螺酮抑郁屈螺酮

来源药(使用该中间体的合成路线)

品种梯队到期年
屈螺酮DrospirenoneTier C · 观察 / 贸易-

合成路线中的位置(上下游链)

按路线登记顺序排列,左→右为合成方向;高亮为当前 CAS,其余可点击跳转对应档案。

屈螺酮优化路线步数:11总收率:/
(2S,4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-Hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,9R)-2,9-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,9R)-9-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,9-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl 2,2-dimethylpropanoate(1aS,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,10R,10aR)-10-Hydroxy-5a,7a-dimethyl-8-oxohexadecahydro-2H-cyclopropa[4',5']cyclopenta[1',2':1,2]phenanthro[8a,9-b]oxiren-3-yl 2,2-dimethylpropanoate(1aS,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,10S,10aS)-10-Chloro-5a,7a-dimethyl-8-oxohexadecahydro-2H-cyclopropa[4',5']cyclopenta[1',2':1,2]phenanthro[8a,9-b]oxiren-3-yl 2,2-dimethylpropanoate(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-10a-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl 2,2-dimethylpropanoate(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one3-Hydroxy-1-propyne(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxyprop-1-yn-1-yl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxypropyl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5-Hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.0(2,4).0(5,10).0(14,19).0(16,18)]nonadecane-15,2'-oxolane]-5',7-dione1-Bromanyl-3-methoxy-propane(3-Methoxypropyl)lithium(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Methoxypropyl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol
屈螺酮优化路线步数:11总收率:/
(2S,4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-Hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one(3S,5S,7S,11R,14S)-7,11-dimethyl-6-oxopentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadec-16-en-14-yl acetate(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,9R)-2,9-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one(3S,5S,7S,11R,14S,18R)-14-[(tert-butyldimethylsilyl)oxy]-18-hydroxy-7,11-dimethylpentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadec-16-en-6-one(2R,5S,7S,9R,10R,13S,15S,17S)-5-[(tert-butyldimethylsilyl)oxy]-10-hydroxy-2,17-dimethyl-8-oxahexacyclo[9.8.0.0(2,7).0(7,9).0(12,17).0(13,15)]nonadecan-16-one(1aS,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,10S,10aS)-10-Chloro-5a,7a-dimethyl-8-oxohexadecahydro-2H-cyclopropa[4',5']cyclopenta[1',2':1,2]phenanthro[8a,9-b]oxiren-3-yl 2,2-dimethylpropanoate(2R,5S,7S,9S,10S,13S,15S,17S)-10-chloro-5-hydroxy-2,17-dimethyl-8-oxahexacyclo[9.8.0.0(2,7).0(7,9).0(12,17).0(13,15)]nonadecan-16-one(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one3-Hydroxy-1-propyne(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxyprop-1-yn-1-yl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxypropyl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5-Hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.0(2,4).0(5,10).0(14,19).0(16,18)]nonadecane-15,2'-oxolane]-5',7-dione
屈螺酮优化路线步数:5总收率:/
(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-oneO-tert-Butyldimethylsilyl propargyl alcohol(1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-8-[3-[tert-Butyl(dimethyl)silyloxy]-1-propynyl]-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol(1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-8-[3-[tert-Butyl(dimethyl)silyloxy]propyl]-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol(1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-8-[3-[tert-Butyl(dimethyl)silyloxy]propyl]-1b,8-dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-3-one(1aR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-8-[3-[tert-Butyl(dimethyl)silyloxy]propyl]-8-hydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-3-one(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxypropyl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-trioltert-Butyl(3-chloropropoxy)dimethylsilane1-Chloro-3-hydroxypropane
屈螺酮优化路线步数:5总收率:/
(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one(Ethoxycarbonyl)acetylene3-(3beta,5beta,17alpha-Trihydroxy-6beta,7beta:15beta,16beta-dimethyleneandrostan-17-yl)-2-propynoic acid ethyl ester3-(3beta,5beta,17alpha-dihydroxy-6beta,7beta:15beta,16beta-dimethyleneandrostan-17-yl)propionic acid ethyl ester3-(5beta,17alpha-Dihydroxy-3-oxo-6beta,7beta:15beta,16beta-dimethyleneandrostan-17-yl)propionic acid ethyl ester3-(5beta,17alpha-Dihydroxy-6beta,7beta:15beta,16beta-dimethylene-3-oxoandrostan-17-yl)-2-propynoic acid ethyl ester3-(17alpha-Hydroxy-6beta,7beta:15beta,16beta-dimethylene-3-oxoandrost-4-en-17-yl)-2-propynoic acid ethyl ester3-(17alpha-Hydroxy-6beta,7beta:15beta,16beta-dimethylene-3-oxoandrost-4-en-17-yl)propionic acid ethyl ester
屈螺酮优化路线步数:2总收率:/
(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one2-(3-Chloropropoxy)oxane1-Chloro-3-hydroxypropane(1aR,1bR,3S,5aR,5bS,7aS,8S,9R,10aS,10bS,10cR)-5a,7a-Dimethyl-9-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]hexadecahydrocyclopenta[a]cyclopropa[l]phenanthrene-1b,3,8(1H)-triol2-(2-Bromoethyl)-1,3-dioxolane(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-[2-(1,3-Dioxolan-2-yl)ethyl]-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol
屈螺酮优化路线步数:5总收率:/
(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one(Ethoxycarbonyl)acetylene3-[3beta,5beta,17beta-Trihydroxy-6beta,7beta:15beta,16beta-dimethyleneandrostan-17-yl]-2-propynoic acid ethyl ester3-[5beta,17beta-Dihydroxy-6beta,7beta:15beta,16beta-dimethylene-3-oxoandrostan-17-yl]-2-propynoic acid ethyl esterEthyl 3-[(1aR,1bR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-1b,8-dihydroxy-5a,7a-dimethyl-3-oxooctadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-yl]propanoatePotassium 3-[(1aR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-hydroxy-5a,7a-dimethyl-3-oxo-1a,3,4,5,5a,5b,6,7,7a,8,8a,9,9a,9b,9c,9d-hexadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-yl]propanoateSodium 3-[(1aR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-hydroxy-5a,7a-dimethyl-3-oxo-1a,3,4,5,5a,5b,6,7,7a,8,8a,9,9a,9b,9c,9d-hexadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-yl]propanoate
屈螺酮优化路线步数:5总收率:/
(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-5a,7a-Dimethylhexadecahydrospiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-oxirane]-1b,3(2H)-diol3-(Ethoxycarbonyl)-2-oxopropan-1-ideCarbethoxyacetic esterSodium 3-ethoxy-3-oxopropanoate(1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylic acidEthyl (1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b,3-dihydroxy-5a,7a-dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylate(1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b-Hydroxy-5a,7a-dimethyl-3,5'-dioxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylic acidEthyl (1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b-hydroxy-5a,7a-dimethyl-3,5'-dioxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylateSodium (1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b,3-dihydroxy-5a,7a-dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylateSodium (1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b-hydroxy-5a,7a-dimethyl-3,5'-dioxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylate

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