(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide
기본 정보
- CAS
188116-19-0- 표준 SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)CCC1- InChIKey
CMOLUFWHADIFGS-VESOQFFVSA-N- 분자식
- C40H56O2
- 평균 분자량
- 568.9 g/mol
- 단동위원소 질량
- 568.42803102
개요
(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide is an epoxycarotenol that beta-cryptoxanthin in which the 5,6-double bond has been epoxidised. It has a role as a plant metabolite. It is functionally related to a beta-cryptoxanthin.
이름 및 식별자
- 우선 이름
- (3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide
- IUPAC
- (1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
이름 및 동의어
(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide188116-19-0(3S,5R,6S)-5,6-dihydro-5,6-epoxy-beta,beta-caroten-3-olCryptoxanthin 5,6-epoxidecryptoxanthin-5,6-epoxidebeta-Cryptoxathin-5,6-epoxidebeta-cryptoxanthin 5,6-epoxideCHEBI:91143DTXSID401231339LMPR01070711(5R,6S)-5,6-epoxi-beta-cryptoxanthinQ27163080
이름 더 보기
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-beta,beta-caroten-3-ol(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-I(2),I(2)-caroten-3-ol(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
데이터베이스 식별자
- CAS
188116-19-0- PubChem CID
- 23256985
- DTXSID
DTXSID401231339- ChEBI
CHEBI:91143- Nikkaji
- J819.775J
물성
구조 계산 물성
- XLogP
- 11.7
- 극성 표면적
- 32.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,300
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…