5-[1-[2-[2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
기본 정보
- CAS
172617-99-1- 표준 SMILES
CC(=O)CCC1C(C2C(=O)CCC2(C)C(CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C- InChIKey
KGPNGYABEKLGJP-UHFFFAOYSA-N- 분자식
- C28H38O7
- 평균 분자량
- 486.6 g/mol
- 단동위원소 질량
- 486.26175355
이름 및 식별자
- 우선 이름
- 5-[1-[2-[2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
- IUPAC
- 5-[1-[2-[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
- 영어명
- eucalyptone
- 분자식
- C28H38O7
- 분자량
- 486.6
이름 및 동의어
172617-99-1Macrocarpal am1CID 918954045-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde5-[(1S)-1-[(1R,2R)-2-[(1R,3R)-2,2-DIMETHYL-3-(3-OXOBUTYL)CYCLOPROPYL]-1-METHYL-3-OXOCYCLOPENTYL]-3-METHYLBUTYL]-2,4,6-TRIHYDROXYBENZENE-1,3-DICARBALDEHYDEXGA61799MFCD202610115-[1-[2-[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxo-cyclopentyl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde5-[1-[2-[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehydeeucalyptoneMacrocarpal AM 1(+)-Macrocarpal N
이름 더 보기
MacrocarpalN/Eucalyptone1,3-Benzenedicarboxaldehyde,5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 813
실험 및 물리화학적 성질
Melting Point145 - 147 °C
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 559.7 · 559.7±50.0 °C(Predicted)
- 밀도
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 5.34 · 5.34±0.50(Predicted)
- 색상
- 노란색
화학 및 산업
약리 정보
Cellular LocationsMembrane
관련 반응
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