(+)-(4S,5R)-3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one
기본 정보
- CAS
26054-22-8- 표준 SMILES
CC(C)CCC(=O)[C@@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@@H]1CCC(C)C- InChIKey
JIZQRWKUYFNSDM-YCRPNKLZSA-N- 분자식
- C21H34O5
- 평균 분자량
- 366.5 g/mol
이름 및 식별자
- 우선 이름
- (+)-(4S,5R)-3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one
- IUPAC
- (4S,5R)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one
이름 및 동의어
(+)-KDT-500Tetrahydroisohumulone, (+)-cis-UNII-ZQ32XE9CI8ZQ32XE9CI8KDT-500, (+)-26054-22-8(+)-(4S,5R)-3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)-, (4S,5R)-SCHEMBL818687JIZQRWKUYFNSDM-YCRPNKLZSA-NQ27295841
데이터베이스 식별자
- CAS
26054-22-8- PubChem CID
- 56956246
- UNII
- ZQ32XE9CI8
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 91.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 585
관련 반응
3건
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