기본 정보
- CAS
22748-58-9- 표준 SMILES
CC(C)CCC(O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CCC(C)C- InChIKey
FUTYYOXQMQKWGM-UHFFFAOYSA-N- 분자식
- C21H36O5
- 평균 분자량
- 368.5 g/mol
- 단동위원소 질량
- 368.25627424
이름 및 식별자
- 우선 이름
- 3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one
- IUPAC
- 3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one
- 영어명
- 3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one
- 분자식
- C21H36O5
- 분자량
- 368.50754
이름 및 동의어
22748-58-93,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-oneEINECS 245-195-53,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-oneSCHEMBL26468511DTXSID20945429FUTYYOXQMQKWGM-UHFFFAOYSA-NNS000520533,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one3,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(1-hydroxy-4-methylpentyl)-2-cyclopentene-1-one2-(1-Oxo-3-methylbutyl)-3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-cyclopentene-1-one
데이터베이스 식별자
- CAS
22748-58-9- PubChem CID
- 90833
- DTXSID
DTXSID20945429- EC Number
- 245-195-5
- Nikkaji
- J286.294H
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 547
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