5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate
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기본 정보
- CAS
143527-76-8- 표준 SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C3=C(C)[C@@H](OC(=O)[C@@H]4OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]4c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C- InChIKey
LLLJXWNWAFHRTB-CHFAFVNJSA-N- 분자식
- C52H59Cl6NO18
- 평균 분자량
- 1,198.751 g/mol
- 단동위원소 질량
- 1,195.18633013
이름 및 식별자
- 우선 이름
- 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate
- 영어명
- 13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl-7,10-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Baccatin III
- 분자식
- C52H59Cl6NO18
- 분자량
- 1198.73876
이름 및 동의어
LLLJXWNWAFHRTB-CHFAFVNJSA-NCabazitaxel Impurity: 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, 3,5-oxazolidinedicarboxylic acid deriv13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl-7,10-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Baccatin III5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate(4S,5R)-2,2-DiMethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetraMethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-diMethylethyl) Ester
데이터베이스 식별자
- CAS
143527-76-8- PubChem CID
- 11136990
물성
물리화학적 성질
- 끓는 점
- 1033.4 · 1033.4±65.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.15 · 12.15±0.70(Predicted)
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도An intermediate in the synthesis of a metabolite of Docetaxel, an antineoplastic.
공급사9 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
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