Hydroxymatairesinol
기본 정보
- CAS
20268-71-7- 표준 SMILES
COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O- InChIKey
UKHWOLNMBQSCLJ-BIENJYKASA-N- 분자식
- C20H22O7
- 평균 분자량
- 374.4 g/mol
- 단동위원소 질량
- 374.13655304
개요
Hydroxymatairesinol has been reported in Tsuga chinensis, Picea obovata, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Hydroxymatairesinol
- IUPAC
- (3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
- 영어명
- (-)-Hydroxymatairesinol
- 분자식
- C20H22O7
- 분자량
- 374.38
이름 및 동의어
hydroxymatairesinolDTXSID7094238720268-71-7(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one(3R,4R)-4-((S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-oneRefChem:923151DTXCID701527468(-)-Hydroxymatairesinol7-Hydroxymatairesinol(3R,4R)-4-[(S)-HYDROXY(4-HYDROXY-3-METHOXYPHENYL)METHYL]-3-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]OXOLAN-2-ONE7(S)-HYDROXYMATAIRESINOL(3R,4R)-4-((S)-HYDROXY(4-HYDROXY-3-METHOXYPHENYL)METHYL)-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)OXOLAN-2-ONE
이름 더 보기
HMR 22(3H)-Furanone, dihydro-4-[(S)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-
CHEMBL513565SCHEMBL13505576SCHEMBL299294637-hydroxymatairesinol [WHO-DD]UKHWOLNMBQSCLJ-BIENJYKASA-N.ALPHA.-HYDROXYMATAIRESINOLGLXC-10171(-)-7-HYDROXYMATAIRESINOL
데이터베이스 식별자
- CAS
20268-71-7- PubChem CID
- 10948757
- DTXSID
DTXSID70942387- ChEMBL
CHEMBL513565- UNII
- 6F59EK4QQH
- Nikkaji
- J1.343.874I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 499
물리화학적 성질
- 녹는점
- 126 · 126-127 °C
- 끓는 점
- 634.2 · 634.2±55.0 °C(Predicted)
- 밀도
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.95 · 9.95±0.31(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…