기본 정보
- CAS
468-44-0- 표준 SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O- InChIKey
RSQSQJNRHICNNH-NFMPGMCNSA-N- 분자식
- C19H24O5
- 평균 분자량
- 332.4 g/mol
- 단동위원소 질량
- 332.16237386
개요
Gibberellin A4 is a C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. It has a role as a plant metabolite. It is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A4(1-).
이름 및 식별자
- 우선 이름
- Gibberellin A4
- IUPAC
- (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
- 영어명
- Gibberellin A4
- 분자식
- C19H24O5
- 분자량
- 332.39
이름 및 동의어
Gibberellin A4468-44-0gibberellin 4CHEBI:329021360M56KLCDTXSID208968612beta,4a-dihydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid, 1,4a-lactone4aalpha,4bbeta-Gibbane-1alpha,10beta-dicarboxylic acid, 2beta,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadecane-9-carboxylic acidRefChem:143113DTXCID101326321
이름 더 보기
GiclazideGibberllin GA4GibberellinA4+7g ibberllin A4Gibberellic(GA4)
207-406-9GA4Gibberellic acid A4(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-Hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidGibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-EINECS 207-406-9Epitope ID:158628
데이터베이스 식별자
- CAS
468-44-0- PubChem CID
- 92109
- DTXSID
DTXSID20896861- ChEBI
CHEBI:32902- UNII
- 1360M56KLC
- EC Number
- 207-406-9
- Nikkaji
- J4.736H
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 685
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
물리화학적 성질
- 녹는점
- 216 · 216 - 218°C
- 끓는 점
- 574 ℃ · 574℃
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 인화점
- 110 ° · >110°(230°F)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 메탄올이나 에탄올에 용해됩니다. 또한 수성 중탄산나트륨 또는 아세트산나트륨에 용해됩니다.
- 산도 계수 (pKa)
- 4.24 · 4.24±0.60(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 감광성
- 주요 응용
- 농업
- InChIKey
- RSQSQJNRHICNNH-VICZXPINNA-N
- SMILES
- C123CC[C@H](O)[C@](C(=O)O1)(C)[C@@]2([H])[C@@H](C12CC(=C)[C@]([H])(CC[C@@]31[H])C2)C(=O)O |&1:3,5,10,12,17,21,r|
- EPA
- 4 · Gibberellin A4 (468-44-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 2229/2004
Gibberellic Acid A4: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (50%)
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Gibberellin A4 is a plant growth hormone that regulates growth and differentiation of plant cells for elongation, germination and enzyme induction.
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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