기본 정보
- CAS
6856-01-5- 표준 SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12- InChIKey
VWJYWGYJIDQUEG-DKDOXNMLSA-N- 분자식
- C20H26O6
- 평균 분자량
- 362.4 g/mol
- 단동위원소 질량
- 362.17293854
개요
Eupatoriopicrin is a germacranolide.
이름 및 식별자
- 우선 이름
- Eupatoriopicrin
- IUPAC
- [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
- 영어명
- eupatoriopicrine
- 분자식
- C20H26O6
- 분자량
- 362.42
이름 및 동의어
Eupatoriopicrin[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate((3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoateRefChem:1085264((3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate6856-01-5CHEBI:4937CHEMBL221283CHEMBL490011orb1682586SCHEMBL18825660DTXSID001383132
이름 더 보기
eupatoriopicrine(3aR,6E,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-3-methylene-6,10-dimethyl-4α-[(E)-4-hydroxy-2-(hydroxymethyl)-2-butenoyloxy]cyclodeca[b]furan-2(3H)-one(E)-4-Hydroxy-2-hydroxymethyl-2-butenoic acid (3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 670
물리화학적 성질
- 끓는 점
- 414.03 °C · 414.03°C (rough estimate)
- 밀도
- 1.1481 · 1.1481 (rough estimate)
- 굴절률
- 1.445 · 1.4450 (estimate)
- 산도 계수 (pKa)
- 13.37 · 13.37±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사13 곳
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EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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雷丁科技0510-85629785 18013409632 · [email protected]
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