기본 정보
- CAS
877822-41-8- 표준 SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12- InChIKey
HPWMABTYJYZFLK-FHEQDPKSSA-N- 분자식
- C24H30O9
- 평균 분자량
- 462.5 g/mol
- 단동위원소 질량
- 462.18898253
개요
Eupalinolide B has been reported in Eupatorium lindleyanum with data available.
이름 및 식별자
- 우선 이름
- Eupalinolide A
- IUPAC
- [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
- 현지명
- 유팔리놀리드B
- 영어명
- Eupalinolide B
- 분자식
- C24H30O9
- 분자량
- 462.49
이름 및 동의어
Eupalinolide A((3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-hydroxy-2-methylbut-2-enoate[(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoateRefChem:921365Eupalinolide B877822-41-8(3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate877822-40-7Eupalinolide-AMFCD23379927orb1221697SCHEMBL30189661
이름 더 보기
유팔리놀리드A유팔리놀리드BEupalinolide B (Standard)7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-
DTXSID50855825Eupalinolide B, 10 mM in DMSOHY-N0753AKOS016012040AC-35004SY068936CS-0009781Eupalinolide B, 99%, from Eupatorium lindleyanum DC.
데이터베이스 식별자
- CAS
877822-41-8- PubChem CID
- 71463992
- DTXSID
DTXSID50855825- Nikkaji
- J3.439.329J
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 909
물리화학적 성질
- 끓는 점
- 618.6 · 618.6±55.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3 (20 ºC 760 Torr)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- Cryst.
- 산도 계수 (pKa)
- 13.68 · 13.68±0.10(Predicted)
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29322090
화학 및 산업
응용 분야
용도Eupalinolide B is a sesquiterpenoid lactone used as an anti-pyretic and detoxicant agent in traditional medicines.
공급사100 곳
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