기본 정보
- CAS
2531-21-7- 표준 SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O- InChIKey
NJHXRWOUQCGQAV-YGNOGLJPSA-N- 분자식
- C19H22O4
- 평균 분자량
- 314.4 g/mol
- 단동위원소 질량
- 314.15180918
개요
2,3-didehydro-gibberellin A9 is a C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9. It has a role as a mouse metabolite. It is a C19-gibberellin and a gibberellin monocarboxylic acid. It is functionally related to a gibberellin A9.
이름 및 식별자
- 우선 이름
- 2,3-Didehydro-gibberellin A9
- IUPAC
- (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
- 현지명
- 2,3-디데히드로지베렐린A9
- 영어명
- 2,3-Didehydro Gibberellin A9
- 분자식
- C19H22O4
- 분자량
- 314.38
이름 및 동의어
2,3-Didehydro-gibberellin A9(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid2,3-Didehydro Gibberellin A92531-21-71beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-2-ene-10beta-carboxylic acidCHEBI:29467LMPR0104170023Q27110085(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-12-ene-9-carboxylic acidJ5X2,3-디데히드로지베렐린A9Gibb-2-ene-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,4aα,4bβ,10β)-
데이터베이스 식별자
- CAS
2531-21-7- PubChem CID
- 5281986
- ChEBI
CHEBI:29467- Nikkaji
- J2.777.646I
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 693
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
물리화학적 성질
- 끓는 점
- 528.4 · 528.4±50.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.31 · 4.31±0.40(Predicted)
화학 및 산업
응용 분야
용도2,3-Didehydro Gibberellin A9 is a derivative of the gibberellin family of plants known for affecting either the stem growth or elongation.
공급사5 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
추가 설명
정의ChEBI: A C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9.
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