기본 정보
- CAS
1373154-68-7- 표준 SMILES
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCOC(C)=O- InChIKey
IVIYFJSPDLOPEX-AXKFECAUSA-N- 분자식
- C22H26O8
- 평균 분자량
- 418.4 g/mol
- 단동위원소 질량
- 418.16276778
이름 및 식별자
- 우선 이름
- Gibberellic acid acetoxymethyl ester
- IUPAC
- acetyloxymethyl (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
- 영어명
- GA3-AM
- 분자식
- C22H26O8
- 분자량
- 418.44
이름 및 동의어
GA3-AM1373154-68-7Gibberellic acid acetoxymethyl esterGibberellic acid-acetoxymethyl esteracetyloxymethyl (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylateGibberellic Acid Acetoxymethyl Ester; 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-acetic acid, 1,2,4b,5,6,7,8,9,10,10a-decahydro-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-, (acetyloxy)methyl ester, (1S,2S,4aR,4bR,7S,9aS,10S,10aR)-orb1697125SCHEMBL31236634YEC15468MFCD30729649AKOS030211123AKOS034831593
이름 더 보기
Gibberellic acid-acetoxymethyl ester 100 μg/mL in Acetonitrile(1α,2β,4aα,4bβ,10β)-2,4a,7-Trihydroxy-1-Methyl-8-Methylenegibb-3-ene-1,10-dicarboxylic Acid 1,4a-Lactone AcetoxyMethyl Ester(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-1,2,4b,5,6,7,8,9,10,10a-Decahydro-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-4a,1-(epoxymethano)-7,9a-methanobenz[a]azulene-10-acetic acid (acetyloxy)methyl ester4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-acetic acid, 1,2,4b,5,6,7,8,9,10,10a-decahydro-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-, (acetyloxy)methyl ester, (1S,2S,4aR,4bR,7S,9aS,10S,10aR)-
AS-82420HY-126558CS-0105277G16014T31900Gibberellic acid-acetoxymethyl ester 100 |Ig/mL in AcetonitrileGibberellic acid-acetoxymethyl ester 100 microg/mL in Acetonitrileacetoxymethyl (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
데이터베이스 식별자
- CAS
1373154-68-7- PubChem CID
- 124221748
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 909
물리화학적 성질
- 녹는점
- 123 · 123-126°C
- 끓는 점
- 620.2 · 620.2±55.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 에탄올(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨, 가열, 초음파 처리)
- 산도 계수 (pKa)
- 13.26 · 13.26±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Gibberellic Acid Acetoxymethyl Ester is an analog of Gibberellic acid. Gibberellic acid acts as a plant growth regulator on account of its physiological and morphological effects in extremely low concentrations. Generally Gibberellic acid affects only the plant parts above the soil surface. Gibberellic acid is a hormone.
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