methyl (6E,10E)-5-acetyloxy-4-(2-hydroxy-2-methyl-3-oxobutanoyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
기본 정보
- CAS
24728-11-8- 표준 SMILES
C=C1C(=O)OC2/C=C(\C)CC/C=C(/C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)(O)C(C)=O)C12- InChIKey
IJMOTPLTXHRBLS-VIVJINLESA-N- 분자식
- C23H28O10
- 평균 분자량
- 464.5 g/mol
- 단동위원소 질량
- 464.16824709
이름 및 식별자
- 우선 이름
- methyl (6E,10E)-5-acetyloxy-4-(2-hydroxy-2-methyl-3-oxobutanoyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
- IUPAC
- methyl (6E,10E)-5-acetyloxy-4-(2-hydroxy-2-methyl-3-oxobutanoyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
- 영어명
- 5-Acetoxy-2,3,3a,4,5,8,9,11a-octahydro-4-(2-hydroxy-2-methyl-1,3-dioxobutoxy)-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
- 분자식
- C23H28O10
- 분자량
- 464.46
이름 및 동의어
24728-11-8SCHEMBL29453023DTXSID80419232NSC136723NSC-136723Methyl (6E,10E)-5-(acetyloxy)-4-[(2-hydroxy-2-methyl-3-oxobutanoyl)oxy]-10-methyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylatePolydalin5-Acetoxy-2,3,3a,4,5,8,9,11a-octahydro-4-(2-hydroxy-2-methyl-1,3-dioxobutoxy)-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl esterCyclodeca[b]furan-6-carboxylic acid, 5-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-4-(2-hydroxy-2-methyl-1,3-dioxobutoxy)-10-methyl-3-methylene-2-oxo-, methyl ester (9CI)
데이터베이스 식별자
- CAS
24728-11-8- PubChem CID
- 5382313
- DTXSID
DTXSID80419232- Nikkaji
- J20.407B
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 943
물리화학적 성질
- 끓는 점
- 620.7 · 620.7±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.88 · 10.88±0.29(Predicted)
관련 반응
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