무수-6-에피오피오볼린A,3-
Anhydroepiophiobolin A
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기본 정보
- CAS
90411-20-4- 표준 SMILES
CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@H]4/C(C=O)=C\C[C@H]32)O1- InChIKey
MDYSLOGZXCWLSL-MUKMEUIDSA-N- 분자식
- C25H34O3
- 평균 분자량
- 382.5 g/mol
개요
Anhydroepiophiobolin A has been reported in Bipolaris sorghicola, Bipolaris cookei, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Anhydroepiophiobolin A
- IUPAC
- (1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde
- 현지명
- 무수-6-에피오피오볼린A,3-
- 영어명
- Anhydro-6-epiophiobolin A, 3-
- 분자식
- C25H34O3
- 분자량
- 382.54
이름 및 동의어
Anhydroepiophiobolin A90411-20-4Anhydro-6-epiophiobolin A3-ANHYDRO-6-EPI-OPHIOBOLIN A(1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehydeAnhydroepiophiobolinAorb1692804CHEMBL2393053HY-N8488BDBM50530670EX-A10631AKOS040755892
이름 더 보기
무수-6-에피오피오볼린A,3-Anhydro-6-epiophiobolin A, 3-Spiro[dicyclopenta[a,d]cyclooctene-3(1H),2'(3'H)-furan]-6-carboxaldehyde, 2,3a,4,4',5',6a,7,9a,10,10a-decahydro-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-7-oxo-, (2'S,3'S,3aR,5'R,6aR,9aS,10aR)-
DA-50484CS-0144745T37543(1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxo-spiro[tetrahydrofuran-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 784
물리화학적 성질
- 끓는 점
- 520.6 · 520.6±50.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
- 물리적 상태
- 고체
화학 및 산업
응용 분야
용도Anhydroepiophiobolin A is a dehydrated analogue of ophiobolin epimerised at the C6 position. Anhydroepiophiobolin A is the major terminal degradation product of ophiobolin A and is co-produced with other ophiobolins in many Bipolaris species. Prior to 1984, references to “anhydroophiobolin” almost certainly refer to anhydroepiophiobolin A as the epimerisation at C6 was not well recognised. Under controlled degradation conditions both anhydroepiophiobolin A and anhydroophiobolin A are observed, but the latter is a minor component readily epimerised to anhydroepiophiobolin A. Like all ophiobolins, anhydro-epiophiobolin A possesses a broad biological profile with antibacterial, antifungal, antitumour, herbicidal and nematocidal activities.
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