기본 정보
- CAS
39647-11-5- 표준 SMILES
CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC- InChIKey
KVWWIYGFBYDJQC-MNOVXSKESA-N- 분자식
- C13H22O3
- 평균 분자량
- 226.31 g/mol
- 단동위원소 질량
- 226.15689456
개요
cis-(+)-methyl dihydrojasmonate has been reported in Lasiodiplodia theobromae with data available.
이름 및 식별자
- 우선 이름
- Methyl dihydrojasmonate, cis-(+)-
- IUPAC
- methyl 2-[(1R,2S)-3-oxo-2-pentylcyclopentyl]acetate
- 현지명
- 메틸디하이드로에피자스모네이트,(+)-메틸디하이드로에피자스모네이트
- 영어명
- methyldihydroepijasmonate,(+)-methyldihydroepijasmonate
- 분자식
- C13H22O3
- 분자량
- 226.31198
이름 및 동의어
cis-Methyl dihydrojasmonatecis-Dihydrojasmonic acid methyl esterGUD0935N0RCyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R-cis)-Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2S)-methyl 2-[(1R,2S)-3-oxo-2-pentylcyclopentyl]acetate(+)-(1r,2s)-methyl dihydrojasmonateFEMA NO. 3408, (+)-CIS-METHYL DIHYDROJASMONATE, CIS-(+)-methyl 2-((1R,2S)-3-oxo-2-pentylcyclopentyl)acetateRefChem:925719Methyl dihydrojasmonate, (+-)-cis-
이름 더 보기
메틸디하이드로에피자스모네이트,(+)-메틸디하이드로에피자스모네이트(+)-(1R,2S)-Form(+)-methyl dihydroepijasmonatemethyldihydroepijasmonate,(+)-methyldihydroepijasmonate
39647-11-5methyl dihydroepijasmonateUNII-GUD0935N0R(+-)-cis-Methyl dihydrojasmonate(+-)-9,10-Dihydro-7-isojasmonate(+-)-(1R,2S)-methyl dihydrojasmonateFEMA No. 3408, (+-)-cis-(+-)-9,10-Dihydro-7-isojasmonic acid methyl ester
데이터베이스 식별자
- CAS
39647-11-5- PubChem CID
- 1738122
- DTXSID
DTXSID80192755- UNII
- GUD0935N0R
- Nikkaji
- J1.233.779E
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 248
물리화학적 성질
- 냄새
- 100 %에서 · 100.00%에서. 쟈스민
- 냄새 유형
- 꽃향기
- LogP
- 2.496 · 2.496 (est)
관련 반응
3건
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