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(R)-Ethyl 5-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoate

HCID 178771458
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기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
147125-14-2
표준 SMILES
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)CCCC(=O)OCC)CC[C@@H]12
InChIKey
JFMUNBOCKILXQJ-PUFGCLJPSA-N
분자식
C33H56O3Si
평균 분자량
528.9 g/mol

이름 및 식별자

우선 이름
(R)-Ethyl 5-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoate
IUPAC
ethyl (5R)-5-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexanoate
영어명
5-(4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-ethylidene}-7a-methyl-octahydro-inden-1-yl)-hexanoic acid ethyl ester
분자식
C33H56O3Si
분자량
528.88

이름 및 동의어

147125-14-2DB-210845CS-0007924(R)-Ethyl 5-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoateethyl (R)-5-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoateJFMUNBOCKILXQJ-YKRCBAMPSA-N9,10-Secochola-5,7,10(19)-triene-24-carboxylic acid, 3-[[(1,1-diMethylethyl)diMethylsilyl]oxy]-, ethyl ester,(3β,5E,7E)-9,10-Secochola-5,7,10(19)-triene-24-carboxylic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3β,5E,7E)- (9CI)5-(4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-ethylidene}-7a-methyl-octahydro-inden-1-yl)-hexanoic acid ethyl ester5-((1R,3aS,7aR,E)-4-((E)-2-((R)-3-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoate(R)-Ethyl 5-((1R,3As,7Ar,E)-4-((E)-2-((R)-3-((Tert-Butyldimethylsilyl)Oxy)-2-Methylenecyclohexylidene)Ethylidene)-7A-Methylctahydro-1H-Inden-1-Yl)Hexanoate

물성

구조 계산 물성보충 중

극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
11
무거운 원자 수
37
형식 전하
0
복잡도
876

물리화학적 성질

끓는 점
556.039 · 556.039±43.00 °C(Press: 760.00 Torr)(predicted)
밀도
0.979 · 0.979±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

관련 반응

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(R)-ethyl 5-((1R,3aS,7aR,E)-4-((E)-2-((R)-3-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoate
이름 더 보기
Ethyl (5R)-5-[(1R,4E,7aR)-4-{(2E)-2-[(5S)-5-{[dimethyl(2-methyl-2 -propanyl)silyl]oxy}-2-methylenecyclohexylidene]ethylidene}-7a-me thyloctahydro-1H-inden-1-yl]hexanoate (non-preferred name)

데이터베이스 식별자

CAS
147125-14-2