기본 정보
- CAS
28178-92-9- 표준 SMILES
C=CCC1=CC(OC)(/C(C)=C/c2ccc3c(c2)OCO3)C(OC)=CC1=O- InChIKey
AOZTYYBGNNXAOI-NTEUORMPSA-N- 분자식
- C21H22O5
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.1467238
개요
Futoquinol is a monoterpenoid.
이름 및 식별자
- 우선 이름
- 4-((1E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl)-4,5-dimethoxy-2-(2-propen-1-yl)-2,5-cyclohexadien-1-one
- IUPAC
- 4-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
- 영어명
- Futoquinol
- 분자식
- C21H22O5
- 분자량
- 354.4
이름 및 동의어
Futoquinol28178-92-94-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-oneDTXSID0011105952-allyl-4-((E)-2-(1,3-benzodioxol-5-yl)-1-methyl-vinyl)-4,5-dimethoxy-cyclohexa-2,5-dien-1-one2-allyl-4-[(E)-2-(1,3-benzodioxol-5-yl)-1-methyl-vinyl]-4,5-dimethoxy-cyclohexa-2,5-dien-1-one4-((1E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl)-4,5-dimethoxy-2-(2-propen-1-yl)-2,5-cyclohexadien-1-one4-((E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl)-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one4-[(1E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)-2,5-cyclohexadien-1-oneRefChem:911955DTXCID201542215CHEMBL498296
이름 더 보기
Futoquinol（Hancinone D）(4S)-4-[(E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propenyl)-2,5-cyclohexadien-1-one
C105742,5-Cyclohexadien-1-one, 4-(2-(1,3-benzodioxol-5-yl)-1-methylethenyl)-4,5-dimethoxy-2-(2-propenyl)-, (E)-AC1NQZ5CCHEBI:5203orb1684597SCHEMBL28793148SCHEMBL29477302AOZTYYBGNNXAOI-NTEUORMPSA-N
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 659
물리화학적 성질
- 끓는 점
- 515 · 515.0±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사52 곳
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成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
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