기본 정보
- CAS
74219-29-7- 표준 SMILES
C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O- InChIKey
QHMBSVQNZZTUGM-MSOLQXFVSA-N- 분자식
- C21H30O2
- 평균 분자량
- 314.5 g/mol
- 단동위원소 질량
- 314.2245802
개요
1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)- has been reported in Cannabis sativa with data available.
이름 및 식별자
- 우선 이름
- 2-((1S,6S)-3-Methyl-6-(Prop-1-En-2-Yl)Cyclohex-2-Enyl)-5-Pentylbenzene-1,3-Diol
- IUPAC
- 2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
- 현지명
- (+)-칸나비디올
- 영어명
- (+)-Cannabidiol
- 분자식
- C21H30O2
- 분자량
- 314.46
이름 및 동의어
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol2-((1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diolRefChem:10604592-((1S,6S)-3-Methyl-6-(Prop-1-En-2-Yl)Cyclohex-2-Enyl)-5-Pentylbenzene-1,3-Diol(+)-Cannabidiol74219-29-7(+)-CBDCHEMBL3810140.delta.1(2)-trans-Cannabidiol2-[(1S,6S)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediolCannabidiol, (+)-T9W6TL93VP
이름 더 보기
(+)-칸나비디올(1S-trans)-2-[3-Methyl-6-(1-Methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)-SCHEMBL1644403DTXSID10653182BDBM50174315(+)-Cannabidiol (1 mg/mL in Methanol)NS000016221,3-Benzenediol, 2-[(1S,6S)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-3-cyclohexen-1-yl]-5-pentyl-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 414
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 463.9 · 463.9±45.0 °C(Predicted)
- 밀도
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- 용해도
- 50 mg/ml · Acetonitrile: 50 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 9 · 9+-.0.45(Predicted)
화학 및 산업
응용 분야
용도Major non-psychoactive constituent of Cannabis. Exhibits multiple bioactivities including anticonvulsant, anxiolytic and anti-inflammatory effects. The (+)-isomers were more active than the (-)-isomers.
공급사3 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
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