기본 정보
- CAS
21453-71-4- 표준 SMILES
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O- InChIKey
KOWMJRJXZMEZLD-UHFFFAOYSA-N- 분자식
- C22H26O8
- 평균 분자량
- 418.4 g/mol
- 단동위원소 질량
- 418.16276778
개요
Syringaresinol is a lignan that is 7,9':7',9-diepoxylignane substituted by hydroxy groups at positions 4 and 4' and methoxy groups at positions 3, 3', 5 and 5' respectively. It has a role as a plant metabolite. It is a lignan, a polyphenol, an aromatic ether, a polyether and a furofuran.
이름 및 식별자
- 우선 이름
- Syringaresinol
- IUPAC
- 4-[6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
- 영어명
- (1S,3aβ,6aβ)-Tetrahydro-1β,4α-bis(3,5-dimethoxy-4-hydroxyphenyl)-1H,3H-furo[3,4-c]furan
- 분자식
- C22H26O8
- 분자량
- 418.44
이름 및 동의어
Syringaresinol4-[6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenolCHEBI:49211syringa-resinol4-(6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-2,6-dimethoxyphenolRefChem:932463487-35-41177-14-64,4'-(Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2,6-dimethoxyphenol)(+/-)-Syringaresinol;4,4'-(Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis[2,6-dimethoxyphenol]Phenol,4,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis[2,6-dimethoxy-
이름 더 보기
(+)-Episyringaresinol(+)-Lirioresinol APhenol, 4,4'-[(1R,3a,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2,6-dimethoxy-
Lirioresinol A4-[6-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenolSymplicosigenolSyringylresinolDL-Syringaresilbmse0100574,4'-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol)SCHEMBL120485
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 95.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 485
실험 및 물리화학적 성질
Melting Point210 - 211 °C
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 594.74 · 594.740±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.282 · 1.282±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.55 · 9.550±0.40(predicted)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
공급사1 곳
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
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