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기본 정보
- CAS
168120-68-1- 표준 SMILES
CC(=O)O[C@@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]3OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]3c3ccccc3)C(C)=C1C2(C)C- InChIKey
HHDLUKVMJZXZCR-GCVOWKBZSA-N- 분자식
- C48H57NO14
- 평균 분자량
- 871.977 g/mol
- 단동위원소 질량
- 871.3779055
이름 및 식별자
- 우선 이름
- 5-[(5beta,7beta,10alpha,13alpha)-4,10-Bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-9-oxo-5,20-epoxy-7,19-cyclotax-11-en-13-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
- IUPAC
- 5-[4,10alpha-Bis(acetyloxy)-2alpha-(benzoyloxy)-1-hydroxy-9-oxo-4alpha,5beta,7alpha-5,20-epoxy-7,19-cyclotax-11-en-13alpha-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
- 영어명
- [1S-[1α,2α,4α(4R*,5S*),7β,8aS*,9aα,10aα,12aα,12bα]]-2,2-DiMethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 5-[7,12a-Bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-triMethyl-8-oxo-2,6-Methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl] 3-(1,1-diMethylethyl) Ester
- 분자식
- C48H57NO14
- 분자량
- 871.97
이름 및 동의어
Thiabendazole Impurity 5N,O-Isopropylidene Larotaxel3-(tert-butyl) 5-((1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-diacetoxy-1-(benzoyloxy)-2-hydroxy-5,13,13-trimethyl-8-oxo-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2H-2,6-methanocyclodeca[3,4]cyclopropa[4,5]benzo[1,2-b]oxet-4-yl) (4S,5R)-2,2-dimethyl-4-phenyloxazolidine-3,5-dicarboxylate3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 5-[(1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl] 3-(1,1-dimethylethyl)...[1S-[1α,2α,4α(4R*,5S*),7β,8aS*,9aα,10aα,12aα,12bα]]-2,2-DiMethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 5-[7,12a-Bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-triMethyl-8-oxo-2,6-Methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl] 3-(1,1-diMethylethyl) Ester
물성
물리화학적 성질
- 끓는 점
- 863.021 · 863.021±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.354 · 1.354±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.46 · 12.460±0.70(predicted)
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도Intermediate in the synthesis of taxol analogs.
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