기본 정보
- CAS
7648-02-4- 표준 SMILES
C=C1CC23C[C@]1(O)CC[C@H]2C12C=C[C@H](OC(C)=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O- InChIKey
KPCREOLLNUIOGL-PSZMZFNUSA-N- 분자식
- C21H24O7
- 평균 분자량
- 388.4 g/mol
- 단동위원소 질량
- 388.1522031
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 3-O-Acetylgibberellin A3
- IUPAC
- (2R,5R,9S,10R,11R,12S)-12-acetyloxy-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
- 현지명
- 지베렐린A33-아세테이트
- 영어명
- Gibberellin A3 3-acetate
- 분자식
- C21H24O7
- 분자량
- 388.42
이름 및 동의어
3-O-Acetylgibberellin A37648-02-4RefChem:95117Gibb-3-ene-1,10-dicarboxylic acid, 2-(acetyloxy)-4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-DTXSID70997857(2R,5R,9S,10R,11R,12S)-12-acetyloxy-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid(1R,2S,4bR,7R,10S,10aR)-2-(Acetyloxy)-7-hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid2-(Acetyloxy)-7-hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid지베렐린A33-아세테이트Acetylgibberellic acidGibberellin A3 3-acetate2-O-Acetylgibberellic acid
이름 더 보기
2β-Acetyloxy-4aα,7-dihydroxy-1-methyl-8-methylenegibba-3-ene-1α,10β-dicarboxylic acid 1,4a-lactone(4bβ)-2β-Acetyloxy-4aα,7-dihydroxy-1-methyl-8-methylenegibba-3-ene-1α,10β-dicarboxylic acid 1,4a-lactoneGibb-3-ene-1,10-dicarboxylic acid, 2-(acetyloxy)-4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,10β)- (9CI)
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 876
물리화학적 성질
- 용해도
- soluble in Dichloromethane, Methanol
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도Gibberellic Acid Acetate is an intermediate in the synthesis of Gibberellin A7 which is a plant hormone that was isolated from culture filtrates of the fungus Gibberella fujikuroi. Gibberellin A7 was shown to promote the growth and elongation of cells.
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