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기본 정보
- CAS
1033574-06-9- 표준 SMILES
COc1ccc(C2O[C@H](C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]5[C@]6(OC(C)=O)CO[C@@H]6C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]5(C)C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1- InChIKey
JABJUHJHKGUSBT-UFUYEPBMSA-N- 분자식
- C58H58Cl3NO17
- 평균 분자량
- 1,147.44 g/mol
이름 및 식별자
- 우선 이름
- 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate
- 영어명
- 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate
- 분자식
- C58H58Cl3NO17
- 분자량
- 1147.44
이름 및 동의어
7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate5-Oxazolidinecarboxylic acid, 3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4...
데이터베이스 식별자
- CAS
1033574-06-9- PubChem CID
- 169447331
- UNII
- AQ55YY7C4T
물성
물리화학적 성질
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.28 · 12.28±0.70(Predicted)
화학 및 산업
응용 분야
용도7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate can be obtained from (αS,βS)-β-Phenyl Isoserine Hydrochloride (P335435) which is an intermediate for the synthesis of Paclitaxel, Docetaxel and their derivatives. 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate can also be used as reactant/reagent in synthetic preparation for semisynthesis of Paclitaxel by condensation of protected Baccatin III and synthetic C-13 side chain.
공급사2 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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