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기본 정보
- CAS
26791-73-1- 표준 SMILES
C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12- InChIKey
RBRPTFMVULVGIC-ZTIIIDENSA-N- 분자식
- C15H18O3
- 평균 분자량
- 246.306 g/mol
- 단동위원소 질량
- 246.12559444
이름 및 식별자
- 우선 이름
- (-)-Xanthatin
- IUPAC
- (3aR,7S,8aS)-7-Methyl-3-methylidene-6-[(1E)-3-oxobut-1-en-1-yl]-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one
- 영어명
- xanthatin
- 분자식
- C15H18O3
- 분자량
- 246.3
이름 및 동의어
( - ) - xanthatinXanthatin, 10 mM in DMSO(3aR)-3-Methylene-7β-methyl-6-(3-oxo-1-butenyl)-3,3aα,4,7,8,8aβ-hexahydro-2H-cyclohepta[b]furan-2-one(3aR)-3,3aα,4,7,8,8aβ-Hexahydro-7β-methyl-3-methylene-6-(3-oxo-1-butenyl)-2H-cyclohepta[b]furan-2-one(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one2H-Cyclohepta[b]furan-2-one,3,3a,4,7,8,8a-hexahydro-7-Methyl-3-Methylene-6-(3-oxo-1-buten-1-yl)-,(3aR,7S,8aS)-(3aR,7S,8aS)-7-Methyl-3-methylene-6-((E)-3-oxobut-1-en-1-yl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(1E)-3-oxobut-1-en-1-yl]-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-[(1E)-3-oxo-1-buten-1-yl]-, (3aR,7S,8aS)-cancer,Xanthatin,5-lipoxygenase,inhibit,Bacterial,Lipoxygenase,antiinflammatory,LOX,T. b. brucei,Apoptosis,VEGFR,breast,Inhibitor,Vascular endothelial growth factor receptor,parasite
데이터베이스 식별자
- CAS
26791-73-1- PubChem CID
- 5281511
- DTXSID
DTXSID001317668- ChEMBL
CHEMBL404466- ChEBI
CHEBI:10058- UNII
- 298X1N12LS
- Nikkaji
- J21.277F
물성
물리화학적 성질
- 녹는점
- 114.5 · 114.5-115°
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 mg/mL, · DMSO: 2mg/mL, clear
- 물리적 상태
- powder
- 끓는 점
- 444.3 · 444.3±45.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 색상
- white to beige
- InChI
- InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
- InChIKey
- RBRPTFMVULVGIC-ZTIIIDENSA-N
- SMILES
- O1C(=O)C(=C)[C@@]2([H])CC=C(/C=C/C(=O)C)[C@@H](C)C[C@]12[H]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사100 곳
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