기본 정보
- CAS
28582-80-1- 표준 SMILES
C=C1C(=O)OC2CC(C)C(C(CC(C)O)OC(C)=O)=CCC12- InChIKey
JKIKMDJRHDXNEW-UHFFFAOYSA-N- 분자식
- C17H24O5
- 평균 분자량
- 308.4 g/mol
개요
2H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene- has been reported in Xanthium orientale, Xanthium spinosum, and Xanthium strumarium with data available.
이름 및 식별자
- 우선 이름
- 2H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-
- IUPAC
- [3-hydroxy-1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)butyl] acetate
- 영어명
- 6-(1-Acetoxy-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
- 분자량
- 0
이름 및 동의어
Grafinin73307-79-62H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-DTXSID509940263-Hydroxy-1-(7-methyl-3-methylidene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)butyl acetate6-(1-Acetoxy-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
데이터베이스 식별자
- CAS
28582-80-1- Nikkaji
- J19.205H
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 507
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…