기본 정보
- 표준 SMILES
COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C- InChIKey
NGGMYCMLYOUNGM-UHFFFAOYSA-N- 분자식
- C26H34O7
- 평균 분자량
- 458.5 g/mol
- 단동위원소 질량
- 458.23045342
이름 및 식별자
- 우선 이름
- 10-((5-Methoxy-4-(2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl)oxy)-10-oxodeca-2,4,6,8-tetraenoic acid
- IUPAC
- 10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
이름 및 동의어
DTXSID5086029210-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid10-((5-Methoxy-4-(2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl)oxy)-10-oxodeca-2,4,6,8-tetraenoic acidRefChem:1057191DTXCID90810059NSC9168SCHEMBL6953276(2E,4E,6E,8E)-10-(((3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl)oxy)-10-oxodeca-2,4,6,8-tetraenoAKOS03024182210-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acidNCI60_042025(2E,4E,6E,8E)-Mono[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] 2,4,6,8-decatetraenedioic acid ester
데이터베이스 식별자
- PubChem CID
- 3430
- DTXSID
DTXSID50860292
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 97.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 879
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…