1,3-디-O-tert-부틸디메틸실릴파리칼시톨18-알데히드
1,3-Di-O-tert-butyldimethylsilyl Paricalcitol 18-Aldehyde
기본 정보
- CAS
1257126-71-8- 표준 SMILES
C[C@H](C=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C- InChIKey
LJLHFLFQOZBNDD-ABTDTXQUSA-N- 분자식
- C33H60O3Si2
- 평균 분자량
- 561 g/mol
- 단동위원소 질량
- 560.40809884
이름 및 식별자
- 우선 이름
- 1,3-Di-O-tert-butyldimethylsilyl Paricalcitol 18-Aldehyde
- IUPAC
- (2S)-2-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal
- 현지명
- 1,3-디-O-tert-부틸디메틸실릴파리칼시톨18-알데히드
- 영어명
- 1,3-Di-O-tert-butyldiMethylsilyl Paricalcitol 18-Aldehyde
- 분자식
- C33H60O3Si2
- 분자량
- 561
이름 및 동의어
1257126-71-81,3-Di-O-tert-butyldimethylsilyl Paricalcitol 18-Aldehyde(2S)-2-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanalSCHEMBL3179666DTXSID40731124(alphaS,1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethylidene]octahydro-alpha,7a-dimethyl-1H-indene-1-acetaldehyde(2S)-2-[(1R,3R,7E)-1,3-Bis{[tert-butyldi(methyl)silyl]oxy}-9,10-secoestra-5,7-dien-17beta-yl]propanal2-[(1R,3R,7E,17beta)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-9,10-secoestra-5,7-dien-17-yl]propanal1,3-디-O-tert-부틸디메틸실릴파리칼시톨18-알데히드(αS,1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexylidene]ethylidene]octahydro-α,7a-diMethyl-1H-indene-1-acetaldehyde1H-Indene-1-acetaldehyde, 4-[2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethylidene]octahydro-α,7a-dimethyl-, (αS,1R,3aS,7aR)-
데이터베이스 식별자
- CAS
1257126-71-8
물성
구조 계산 물성
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 866
물리화학적 성질
- 끓는 점
- 557.824 · 557.824±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 0.965 · 0.965±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
1,3-Di-O-tert-butyldiMethylsilyl Paricalcitol 18-Aldehyde is White Sticky Solid
화학 및 산업
응용 분야
용도1,3-Di-O-tert-butyldiMethylsilyl Paricalcitol 18-Aldehyde is used in the preparation of Paricalcitol (P195300).
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