Isohumulone, cis-(+)-
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기본 정보
- CAS
1534-03-8- 표준 SMILES
CC(C)=CCC(=O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1CC=C(C)C- InChIKey
QARXXMMQVDCYGZ-VFNWGFHPSA-N- 분자식
- C21H30O5
- 평균 분자량
- 362.5 g/mol
- 단동위원소 질량
- 362.20932406
개요
cis-(+)-isohumulone has been reported in Humulus lupulus with data available.
이름 및 식별자
- 우선 이름
- Isohumulone, cis-(+)-
- IUPAC
- (4R,5S)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
- 영어명
- CIS-ISOHUMULONE
- 분자식
- C21H30O5
- 분자량
- 362.46
이름 및 동의어
cis-isohumuloneIsohumulone A11534-03-8Isohumulone, cis-(+)-V3K20018SL(4R,5S)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one2-Cyclopenten-1-one, 3,4-dihydroxy-2-isovaleryl-5-(3-methyl-2-butenyl)-4-(4-methyl-3-pentenoyl)-, stereoisomer2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-, (4R,5S)-2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, (4R,5S)-2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, (4R-cis)-RefChem:1087558Isohumulone B
이름 더 보기
ISOHUMULONEBISOHUMULONEA1Isohumulone A1 Discontinue offer I790420
(+)-cis-IsohumuloneUNII-V3K20018SL(+)-cis isohumulonecis-(+)-isohumuloneSCHEMBL820691QARXXMMQVDCYGZ-VFNWGFHPSA-NDTXSID901359441Q27291492
데이터베이스 식별자
- CAS
1534-03-8- PubChem CID
- 21594782
- DTXSID
DTXSID901359441- UNII
- V3K20018SL
- Nikkaji
- J258.536G
물성
구조 계산 물성보충 중
- XLogP
- 3.8
- 극성 표면적
- 91.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 685
물리화학적 성질
- 끓는 점
- 530.5 · 530.5±50.0 °C
화학 및 산업
응용 분야
용도Isohumulone A1 can be used as a polysaccharide thickener compound to form and improve the quality of foams for beverages. It can also be used for cancer treatment.
관련 반응
3건
화합물 노트
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