[(1R,2S,3R,7R,8S,9R,11S,13S)-1,9-dihydroxy-9,13-dimethyl-2-[(Z)-2-methylbut-2-enoyl]oxy-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] (2R)-2-methylbutanoate
기본 정보
- CAS
75102-66-8- 표준 SMILES
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@]1(O)O[C@@H](C[C@@H]1C)C[C@@](C)(O)[C@H]2OC(=O)[C@H](C)CC- InChIKey
LYSXXZROYWKWEQ-ZQZQXELWSA-N- 분자식
- C25H36O9
- 평균 분자량
- 480.5 g/mol
개요
Ineupatolide has been reported in Carpesium triste and Duhaldea eupatorioides with data available.
이름 및 식별자
- 우선 이름
- [(1R,2S,3R,7R,8S,9R,11S,13S)-1,9-dihydroxy-9,13-dimethyl-2-[(Z)-2-methylbut-2-enoyl]oxy-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] (2R)-2-methylbutanoate
- IUPAC
- [(1R,2S,3R,7R,8S,9R,11S,13S)-1,9-dihydroxy-9,13-dimethyl-2-[(Z)-2-methylbut-2-enoyl]oxy-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] (2R)-2-methylbutanoate
- 영어명
- (Z)-2-Methyl-2-butenoic acid [(3aR,4S,5R,6S,8S,10R,11S,11aR)-dodecahydro-5,10-dihydroxy-6,10-dimethyl-3-methylene-11-[(R)-2-methyl-1-oxobutoxy]-2-oxo-5,8-epoxycyclodeca[b]furan-4-yl] ester
- 분자량
- 0
이름 및 동의어
75102-66-8Ineupatolide(Z)-2-Methyl-2-butenoic acid [(3aR,4S,5R,6S,8S,10R,11S,11aR)-dodecahydro-5,10-dihydroxy-6,10-dimethyl-3-methylene-11-[(R)-2-methyl-1-oxobutoxy]-2-oxo-5,8-epoxycyclodeca[b]furan-4-yl] ester
데이터베이스 식별자
- CAS
75102-66-8- Nikkaji
- J11.641F
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 895
관련 반응
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