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10-脱乙酰基巴卡丁 III

10-脱乙酰基巴卡丁 III

CAS号：32981-86-5

英文名：10-deacetylbaccatin III

分子式

C29H36O10

熔点

231-236 °C

密度

1.41 g/cm3

分子量

544.59

沸点

716.8ºC at 760 mmHg

溶解度

INSOLUBLE

信号词

危险品标志

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化合物简介

10-Deacetylbaccatins are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. 10-Deacetylbaccatin III is a precursor to the anti-cancer drug docetaxel (Taxotere).

基本信息

中文名称

10-脱乙酰基巴卡丁 III

英文名称

10-deacetylbaccatin III

中文别名

10-脱乙酰巴卡丁III、10-去乙酰基巴卡亭、10-脱乙酰巴卡丁Ⅲ、10-脱乙酰基巴卡丁III

英文别名

10-DAB-III、Docetaxel impurity E、10-Deacetylbaccatin III、10-Dab、10-Deacetylbaccatin-III、10-desacetylbaccatin III、DESACETYLBACCATINE、10-DEACETYLBACCATIN、10-Deacetyl、10-Deacetylbaccatine、10-DAB (10-Deacetylbaccatin)、10DBA III、10-deacetylbaccatin11

CAS号

32981-86-5

分子式

C29H36O10

分子量

544.59

精确质量

544.231

PSA

159.82

LOGP

1.0818

编号系统

EINECS号

608-810-1

物化性质

外观与性状

白色固体

密度

1.41 g/cm3

沸点

716.8ºC at 760 mmHg

熔点

231-236 °C

闪点

233.5ºC

折射率

1.624

水溶解性

INSOLUBLE

储存条件

2-8ºC

安全信息

安全说明

S45-S38-S36/37/39-S28A

WGK Germany

3

危险类别码

R23/24/25

危险品运输编码

1544

危险类别

6.1(b)

包装等级

III

危险品标志

T

生产方法及用途

用途

是合成紫杉醇和多烯紫杉醇的前体产品。

合成路线

共找到25条合成路线 >

7-O-(三乙基硅烷基)-10-去乙酰基浆果赤霉素III

7-O-(三乙基硅烷基)-10-去乙酰基浆果赤霉素III

10-脱乙酰基巴卡丁 III

10-脱乙酰基巴卡丁 III

上游原料

共找到28个上游原料 >

10-dehydro-10-deacetylbaccatin III (V)

10-dehydro-10-deacetylbaccatin III (V)

巴卡丁 III

2-((3aS,5S,8S,9S,10S,11R,11aS)-8,9-dihydroxy-6,10,12,12-tetramethyl-2-oxo-5-((triisopropylsilyl)oxy)-5,8,9,10,11,11a-hexahydro-4H-3a,7-methanocyclodeca[d][1,3]dioxol-11-yl)acetaldehyde

2-((3aS,5S,8S,9S,10S,11R,11aS)-8,9-dihydroxy-6,10,12,12-tetramethyl-2-oxo-5-((triisopropylsilyl)oxy)-5,8,9,10,11,11a-hexahydro-4H-3a,7-methanocyclodeca[d][1,3]dioxol-11-yl)acetaldehyde

7-O-chloroacetylbaccatin III

7-O-chloroacetylbaccatin III

2-((1S,5S,6S,7S,8S,12S)-7,11,14,14-Tetramethyl-3,9-dioxo-8-triethylsilanyloxy-12-triisopropylsilanyloxy-2,4-dioxa-tricyclo[8.3.1.01,5]tetradec-10-en-6-yl)-propenal

2-((1S,5S,6S,7S,8S,12S)-7,11,14,14-Tetramethyl-3,9-dioxo-8-triethylsilanyloxy-12-triisopropylsilanyloxy-2,4-dioxa-tricyclo[8.3.1.01,5]tetradec-10-en-6-yl)-propenal

10-deacetyl-7,10-bis-trichloroacetylbaccatine III

10-deacetyl-7,10-bis-trichloroacetylbaccatine III

下游产品

共找到17个下游商品 >

10-乙酰多西他赛

10-乙酰多西他赛

4α-acetoxy-2α-benzoyloxy-5β,20-epoxy-1β-hydroxy-7β,10β-dimethoxy-9-oxo-11-taxene-13α-yl (2R,4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate

4α-acetoxy-2α-benzoyloxy-5β,20-epoxy-1β-hydroxy-7β,10β-dimethoxy-9-oxo-11-taxene-13α-yl (2R,4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate

3'-N-debenzoyltaxol

3'-N-debenzoyltaxol

卡巴他赛

7β,10β-二甲氧基多西紫杉醇

7β,10β-二甲氧基多西紫杉醇

巴卡丁 III

上游原料

10-dehydro-10-deacetylbaccatin III (V) 巴卡丁 III 2-((3aS,5S,8S,9S,10S,11R,11aS)-8,9-dihydroxy-6,10,12,12-tetramethyl-2-oxo-5-((triisopropylsilyl)oxy)-5,8,9,10,11,11a-hexahydro-4H-3a,7-methanocyclodeca[d][1,3]dioxol-11-yl)acetaldehyde 7-O-chloroacetylbaccatin III 2-((1S,5S,6S,7S,8S,12S)-7,11,14,14-Tetramethyl-3,9-dioxo-8-triethylsilanyloxy-12-triisopropylsilanyloxy-2,4-dioxa-tricyclo[8.3.1.01,5]tetradec-10-en-6-yl)-propenal 10-deacetyl-7,10-bis-trichloroacetylbaccatine III 三尖杉宁碱 (3aS,5S,9S,10S,11S,11aS)-11-((R)-3-((benzyloxy)methoxy)hexa-1,5-dien-2-yl)-6,10,12,12-tetramethyl-9-((triethylsilyl)oxy)-5-((triisopropylsilyl)oxy)-4,5,9,10,11,11a-hexahydro-8H-3a,7-methanocyclodeca[d][1,3]dioxole-2,8-dione 苯基锂 7-表-10-去乙酰基浆果赤霉素III (3aS,5S,7aS,10aS,11S,12R,12aS)-6,9,9,11,13,13-hexamethyl-2-oxo-5-((triisopropylsilyl)oxy)-5,7a,10a,11,12,12a-hexahydro-4H-3a,7-methanocyclodeca[1,2-d:5,6-d']bis([1,3]dioxole)-12-carbaldehyde 巴卡亭III 7-表-10-脱乙酰基紫杉醇甲醇 (3aS,5S,9S,10S,11S,11aS)-11-((R)-3-((benzyloxy)methoxy)hexa-1,5-dien-2-yl)-9-hydroxy-6,10,12,12-tetramethyl-5-((triisopropylsilyl)oxy)-4,5,9,10,11,11a-hexahydro-8H-3a,7-methanocyclodeca[d][1,3]dioxole-2,8-dione 7-α-glucosyloxyacetyl paclitaxel (1S,5S,6S,7S,8S,12S)-6-((R)-2-Hydroxy-1-methylene-pent-4-enyl)-7,11,14,14-tetramethyl-8-triethylsilanyloxy-12-triisopropylsilanyloxy-2,4-dioxa-tricyclo[8.3.1.01,5]tetradec-10-ene-3,9-dione 2’-TES-taxol 2-((3aS,5S,8S,9S,10S,11R,11aS)-8-hydroxy-6,10,12,12-tetramethyl-2-oxo-9-((triethylsilyl)oxy)-5-((triisopropylsilyl)oxy)-5,8,9,10,11,11a-hexahydro-4H-3a,7-methanocyclodeca[d][1,3]dioxol-11-yl)acetaldehyde 紫杉醇 7-O-(三乙基硅烷基)-10-去乙酰基浆果赤霉素III 10-O-去乙酰基-7-O-beta-D-吡喃木糖基浆果赤霉素 III

下游产品

10-乙酰多西他赛 4α-acetoxy-2α-benzoyloxy-5β,20-epoxy-1β-hydroxy-7β,10β-dimethoxy-9-oxo-11-taxene-13α-yl (2R,4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate 3'-N-debenzoyltaxol 卡巴他赛 7β,10β-二甲氧基多西紫杉醇巴卡丁 III (2α,3α,4α,5β,7α,10β,13α)-4,10-bis(acetyloxy)-1,13-dihydroxy-9-oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate 7,10-di-O-chloroacetyl-10-deacetylbaccatin III 13-{[(3-t-叔丁氧羰基)-2,2-二甲基-4S-苯基-1,3-恶唑烷-5R-基]甲酰基}-7-O-(2,2,2-三氯乙基)氧基]羰基)浆果赤霉素III 7,10-二[O-(三乙基硅烷基)]-10-去乙酰基浆果赤霉素III 7-O-(2,2,2-三氯乙氧基羰基)浆果赤霉素 III Larotaxel 紫杉醇 7-O-(三乙基硅烷基)-10-去乙酰基浆果赤霉素III N-去-t-叔丁氧羰基-10-去乙酰基-7,10-O-二{[(2,2,2-三氯乙基)氧基]羰基}多西他赛 7,10-二(2,2,2-三氯乙氧羰基)-10-脱乙酰基巴卡丁 III 7,10,13-tri(2,2,2-tricholoroethyloxycarbonyl)-10-deacetyl baccatin III