아디퍼포린
4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
기본 정보
- CAS
143183-63-5- 표준 SMILES
CCC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O- InChIKey
MGKCAFQXBAFOSW-UHFFFAOYSA-N- 분자식
- C36H54O4
- 평균 분자량
- 550.8 g/mol
- 단동위원소 질량
- 550.4022102
개요
Adhyperforin is a monoterpenoid.
이름 및 식별자
- 우선 이름
- 4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
- IUPAC
- 4-hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
- 현지명
- 아디퍼포린
- 영어명
- ADHYPERFORIN
- 분자식
- C36H54O4
- 분자량
- 550.81
이름 및 동의어
4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione143183-63-5SCHEMBL25184456DTXSID70433341CHEBI:177559NS00094786Q46825734-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione아디퍼포린HYPERFORINADHYPERFORINADHYPERFORIN(SH)(PLEASE CALL)
이름 더 보기
(1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dioneBicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-
물성
구조 계산 물성
- XLogP
- 10
- 극성 표면적
- 71.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,160
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