(1R,3aR,7aR)-1-((2R,5S,E)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-one
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기본 정보
- CAS
100858-26-2- 표준 SMILES
COCOC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C- InChIKey
HSGIZUAUGQQEEU-KEODFZGNSA-N- 분자식
- C21H36O3
- 평균 분자량
- 336.5 g/mol
이름 및 식별자
- 우선 이름
- (1R,3aR,7aR)-1-((2R,5S,E)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-one
- IUPAC
- (1R,3aR,7aR)-1-[(E,2R,5S)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
- 영어명
- (1R,3aR,7aR)-1-((2R,5S,E)-6-(MethoxyMethoxy)-5,6-diMethylhept-3-en-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one
- 분자식
- C21H36O3
- 분자량
- 336.51
이름 및 동의어
100858-26-2(1R,3aR,7aR)-1-((2R,5S,E)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-one(1R,3aR,7aR)-1-[(E,2R,5S)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-oneSCHEMBL13775152CS-M1242MFCD22124608AKOS037649892AC-31078CS-13840DB-179056F789082(1R,3aR,7aR)-1-((2R,5S,E)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-one
이름 더 보기
CD ring intermediate of paricalcitol(22E,24S)-de-A,B-25-[(Methoxymethyl)oxy]ergost-22-en-8-one(1R,7aR)-1-((2R,5S,E)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-one(1R,3aR,7aR)-Octahydro-1-[(1R,2E,4S)-5-(methoxymethoxy)-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-one4H-Inden-4-one, octahydro-1-[(1R,2E,4S)-5-(methoxymethoxy)-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-, (1R,3aR,7aR)-
(1R,3aR,7aR)-1-[(E,1R,4S)-5-(methoxymethoxy)-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
데이터베이스 식별자
- CAS
100858-26-2
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 468
물리화학적 성질
- 끓는 점
- 406.492 · 406.492±25.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 0.981 · 0.981±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
관련 반응
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