4-[1-[3-Butanoyl-2,4,6-trihydroxy-5-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]phenyl]-2-methylpropyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
기본 정보
- CAS
55822-95-2- 표준 SMILES
CCCC(=O)c1c(O)c(C(C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c(C(C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O- InChIKey
QRKOGOSZQMENRN-UHFFFAOYSA-N- 분자식
- C38H52O10
- 평균 분자량
- 668.8 g/mol
이름 및 식별자
- 우선 이름
- 4-[1-[3-Butanoyl-2,4,6-trihydroxy-5-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]phenyl]-2-methylpropyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
- IUPAC
- 4-[1-[3-butanoyl-2,4,6-trihydroxy-5-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]phenyl]-2-methylpropyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
- 영어명
- 4,4'-[(2,4,6-Trihydroxy-5-butyryl-1,3-phenylene)bis(2-methylpropane-1,1-diyl)]bis(5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione)
- 분자식
- C38H52O10
- 분자량
- 668.81
이름 및 동의어
4,4'-[(2,4,6-Trihydroxy-5-butyryl-1,3-phenylene)bis(2-methylpropane-1,1-diyl)]bis(5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione)4-Cyclohexene-1,3-dione, 4,4'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(2-methylpropylidene)]bis[5-hydroxy-2,2,6,6-tetramethyl- (9CI)
데이터베이스 식별자
- CAS
55822-95-2- Nikkaji
- J128.942J
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 187 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,340
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…