기본 정보
- CAS
19436-07-8- 표준 SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O- InChIKey
ZCTUNYRXJKLWPY-LLCOKINKSA-N- 분자식
- C20H28O3
- 평균 분자량
- 316.4 g/mol
- 단동위원소 질량
- 316.20384475
개요
Gibberellin A12 aldehyde is a C20-gibberellin that is gibberellin A12 in which the carboxy group at position 10 has been reduced to the corresponding aldehyde. It is an aldehyde and a C20-gibberellin. It is functionally related to a gibberellin A12. It is a conjugate acid of a gibberellin A12 aldehyde(1-).
이름 및 식별자
- 우선 이름
- Gibberellin A12 aldehyde
- IUPAC
- (1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
- 현지명
- 지베렐린A12알데히드
- 영어명
- gibberellin A12 aldehyde
- 분자식
- C20H28O3
- 분자량
- 316.44
이름 및 동의어
Gibberellin A12 aldehydeGibberellin-A-12-aldehydeGA12-aldehyde19436-07-8CHEBI:15610(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo(10.2.1.0(1,9).0(3,8))pentadecane-4-carboxylic acid 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo(10.2.1.01,9.03,8)pentadecane-4-carboxylic acidRefChem:143091Gibbane-1-carboxylic acid, 10-formyl-1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-(1R,4aS,4bS,7R,9aR,10S,10aS)-10-formyl-1,4a-dimethyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1-carboxylic acid
이름 더 보기
지베렐린A12알데히드GA12ald
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 54.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 596
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 159 · 159-163 °C
- 끓는 점
- 454.7 · 454.7±45.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.53 · 4.53±0.60(Predicted)
화학 및 산업
약리 정보
Cellular LocationsExtracellular
공급사6 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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常州翔龙医药科技有限公司18661161657 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
추가 설명
정의ChEBI: A C20-gibberellin that is gibberellin A12 in which the carboxy group at position 10 has been reduced to the corresponding aldehyde.
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