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巴卡丁 III

巴卡丁 III

CAS号：27548-93-2

英文名：Baccatine III

分子式

C31H38O11

熔点

229-234 °C

密度

1.38 g/cm3

分子量

586.627

沸点

713.6ºC at 760 mmHg

溶解度

不溶

信号词

危险品标志

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化合物简介

A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species .

基本信息

中文名称

巴卡丁 III

英文名称

Baccatine III

中文别名

巴卡丁III、巴卡丁、巴卡亭III、巴卡汀III

英文别名

Baccatin III、BACCATIN III

CAS号

27548-93-2

分子式

C31H38O11

分子量

586.627

精确质量

586.241

PSA

165.89

LOGP

1.6526

编号系统

MDL号

MFCD00153921

物化性质

外观与性状

白色至灰白色粉末

密度

1.38 g/cm3

沸点

713.6ºC at 760 mmHg

熔点

229-234 °C

闪点

226.9ºC

折射率

1.5455-1.5475

水溶解性

不溶

储存条件

2-8ºC

蒸汽压

0mmHg at 25°C

安全信息

安全说明

53-22-26-36/37/39-45-24/25

危险类别码

R45

WGK Germany

3

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

合成路线

共找到8条合成路线 >

苯基锂

187961-12-2

10-脱乙酰基巴卡丁 III

10-脱乙酰基巴卡丁 III

巴卡丁 III

上游原料

共找到80个上游原料 >

(1R,2S,3S,5R,6S,7S,8S,9S)-2,6-Dibenzyloxy-3-(3-butenyl)-5-(tert-butyldimethylsiloxy)-7,9-(isopropylidenedioxy)-4,4,8-trimethyl-12-methylenebicyclo[6.4.0]dodecan-3-ol

(1R,2S,3S,5R,6S,7S,8S,9S)-2,6-Dibenzyloxy-3-(3-butenyl)-5-(tert-butyldimethylsiloxy)-7,9-(isopropylidenedioxy)-4,4,8-trimethyl-12-methylenebicyclo[6.4.0]dodecan-3-ol

(4S,4aS,6R,11S,12S,12aR)-11,12-(Carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4-triethylsiloxy-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate

(4S,4aS,6R,11S,12S,12aR)-11,12-(Carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4-triethylsiloxy-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate

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

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

(1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(cyclohexyldimethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylene-6-(3-oxobutyl)bicyclo[6.4.0]dodecan-4-one

(1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(cyclohexyldimethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylene-6-(3-oxobutyl)bicyclo[6.4.0]dodecan-4-one

7-三乙基硅烷基-13-氧代浆果赤霉素III

7-三乙基硅烷基-13-氧代浆果赤霉素III

下游产品

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7-O-(三乙基硅烷基)紫杉醇

7-O-(三乙基硅烷基)紫杉醇

10-脱乙酰基巴卡丁 III

10-脱乙酰基巴卡丁 III

7-O-(2,2,2-三氯乙氧基羰基)浆果赤霉素 III

7-O-(2,2,2-三氯乙氧基羰基)浆果赤霉素 III

7-表-10-去乙酰基浆果赤霉素III

7-表-10-去乙酰基浆果赤霉素III

3'-N-debenzoyltaxol

3'-N-debenzoyltaxol

Larotaxel

上游原料

(1R,2S,3S,5R,6S,7S,8S,9S)-2,6-Dibenzyloxy-3-(3-butenyl)-5-(tert-butyldimethylsiloxy)-7,9-(isopropylidenedioxy)-4,4,8-trimethyl-12-methylenebicyclo[6.4.0]dodecan-3-ol (4S,4aS,6R,11S,12S,12aR)-11,12-(Carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4-triethylsiloxy-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate 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-((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 (1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(cyclohexyldimethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylene-6-(3-oxobutyl)bicyclo[6.4.0]dodecan-4-one 7-三乙基硅烷基-13-氧代浆果赤霉素III 三尖杉宁碱苯基锂 (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 (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 (1S,2S,3R,4R,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-6-(cyclohexylmethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecan-4-ol (1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(dicyclohexylmethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylene-6-(3-oxobutyl)bicyclo[6.4.0]dodecan-4-one 乙酸酐 (1S,2S,3R,4R,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-6-(tert-butyldimethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecan-4-ol (4S,4aS,5S,6S,7R,8R,11S,12S,12aR)-6,12-Dibenzyloxy-11-(tert-butyldimethylsiloxy)-4,5-(isopropylidenedioxy)-4a,8,13,13-tetramethyl-1-methylenetetradecahydro-7,11-methanobenzocyclodecene-7,8-diol (4S,4aS,5S,6S,7R,8R,11S,12S,12aR)-11,12-(Carbonyldioxy)-4,5-(isopropylidenedioxy)-4a,8,13,13-tetramethyl-1-methylenetetradecahydro-7,11-methanobenzocyclodecene-5,7,8-triol 7,13-二-O-(三乙基硅烷基)浆果赤霉素III 13-acetyl baccatin III (4S,4aS,6R,9S,11S,12S,12aR)-11,12-(Carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4,9-bis(triethylsiloxy)-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate (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 10-脱乙酰基巴卡丁 III (4S,4aS,6R,11S,12S,12aR)-11,12-(Carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5,9-dioxo-4-triethylsiloxy-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate (1S,2S,3S,4R,6R,7S,8R,12S)-3,7-Dibenzyloxy-4-(tert-butyldimethylsiloxy)-6-(p-methoxybenzyloxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecane-2,12-diol (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 (4S,4aS,5S,6S,7R,8R,11S,12S,12aR)-6,12-Dibenzyloxy-11-(cyclohexyldimethylsiloxy)-4,5-(isopropylidenedioxy)-4a,8,13,13-tetramethyl-1-methylenetetradecahydro-7,11-methanobenzocyclodecene-7,8-diol 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 (4S,4aS,5S,6S,7R,8R,11S,12S,12aR)-11,12-(Carbonyldioxy)-7,8-dihydroxy-4,5-(isopropylidenedioxy)-4a,8,13,13-tetramethyl-1-methylenetetradecahydro-7,11-methanobenzocyclodecen-6-yl acetate (1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-6-(cyclohexylmethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecan-4-one (1S,4aR,5S,6S,9R,10R,11S,12S,12aS)-1,12-(Isopropylidenedioxy)-9,12a,13,13-tetramethyl-4-methylenetetradecahydro-6,10-methanobenzocyclodecene-5,6,9,10,11-pentaol (1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-6-(dicyclohexylmethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecan-4-one (1S,2S,3S,4R,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-4,6-(tert-butylmethylsilylenedioxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecane (4S,4aS,6R,7R,8R,11S,12S,12aR)-11,12-(Carbonyldioxy)-7,8-dihydroxy-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4-triethylsiloxytetradecahydro-7,11-methanobenzocyclodecen-6-yl acetate (1S,2S,3R,4R,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-6-(dicyclohexylmethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecan-4-ol (1S,2S,3S,4R,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(3-butenyl)-4,6-(dicyclohexylsilylenedioxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecane 7-O-(三乙基硅烷基)浆果赤霉素III (4S,4aS,5S,6S,7R,8R,11S,12S,12aR)-6,12-Dibenzyloxy-11-(dicyclohexylmethylsiloxy)-4,5-(isopropylidenedioxy)-4a,8,13,13-tetramethyl-1-methylenetetradecahydro-7,11-methanobenzocyclodecene-7,8-diol (1R,2S,5R,6S,7S,8S,9S)-2,6-Dibenzyloxy-5-(tert-butyldimethylsiloxy)-7,9-(isopropylidenedioxy)-4,4,8-trimethyl-12-methylenebicyclo[6.4.0]dodecan-3-one (1S,2S,3S,6S,7S,8R,12S)-3,7-Dibenzyloxy-6-(tert-butyldimethylsiloxy)-2,12-(isopropylidenedioxy)-1,5,5-trimethyl-9-methylene-6-(3-oxobutyl)bicyclo[6.4.0]dodecan-4-one (1S,2S,3S,4R,6R,7S,8R,12S)-3,7-Dibenzyloxy-4-(tert-butyldimethylsiloxy)-2,12-(isopropylidenedioxy)-6-(p-methoxybenzyloxy)-1,5,5-trimethyl-9-methylenebicyclo[6.4.0]dodecane 2α,10β-dibenzyloxy-11β-(t-butyldimethylsiloxy)-7β-hydroxy-1α-(p-methoxybenzyloxy)-8β,15,15-trimethyl-4-methylene-trans-bicyclo[6.4.0]dodecan-9-one (4S,4aR,5S,6S,7R,8R,11S,12S,12aR)-11,12-(Carbonyldioxy)-5,7,8-trihydroxy-4a,8,13,13-tetramethyl-1-methylene-4-(triethylsiloxy)tetradecahydro-7,11-methanobenzocyclodecen-6-yl acetate 1,2-O,O-Carbonyl-7,13-O,O-bis(triethylsilyl)-2-debenzoylbaccatin III 甲醇 7-α-glucosyloxyacetyl paclitaxel

下游产品

7-O-(三乙基硅烷基)紫杉醇 10-脱乙酰基巴卡丁 III 7-O-(2,2,2-三氯乙氧基羰基)浆果赤霉素 III 7-表-10-去乙酰基浆果赤霉素III 3'-N-debenzoyltaxol Larotaxel 紫杉醇 7,13-二-O-(三乙基硅烷基)浆果赤霉素III