기본 정보
- CAS
4370-68-7- 표준 SMILES
CCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O- InChIKey
SSBANIVTGNXXSJ-UHFFFAOYSA-N- 분자식
- C35H52O8
- 평균 분자량
- 600.8 g/mol
- 단동위원소 질량
- 600.36621861
개요
Vilangin has been reported in Embelia ribes with data available.
이름 및 식별자
- 우선 이름
- Vilangine
- IUPAC
- 2-[(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione
- 영어명
- 2,2'-Methylenebis(3,6-dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione)
- 분자량
- 0
이름 및 동의어
VILANGINVilangine4370-68-7DN22FU5SDN2-[(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dioneNSC-874133-((3,6-Dihydroxy-2,5-dioxo-4-undecylcyclohexa-1(6),3-dienyl)methyl)-2,5-dihydroxy-6-undecylcyclohexa-2,5-diene-1,4-dionesDTXSID101959112-((2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl)-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione3-[(3,6-Dihydroxy-2,5-dioxo-4-undecylcyclohexa-1(6),3-dienyl)methyl]-2,5-dihydroxy-6-undecylcyclohexa-2,5-diene-1,4-dionesRefChem:934028DTXCID50118402
이름 더 보기
NSC87413UNII-DN22FU5SDNNSC 874132,2'-Methylenebis(3,6-dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione)CHEMBL19952222,2'-Methylenebis(3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione)2-[(2,5-dihydroxy-3,6-dioxo-4-undecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecyl-1,4-benzoquinone
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 10.9
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,050
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…