기본 정보
- 표준 SMILES
CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C- InChIKey
SZCBXWMUOPQSOX-WVJDLNGLSA-N- 분자식
- C40H56O4
- 평균 분자량
- 600.9 g/mol
- 단동위원소 질량
- 600.41786027
개요
All-trans-violaxanthin is the all-trans-stereoisomer of violaxanthin. It has a role as a food colouring.
이름 및 식별자
- 우선 이름
- Violaxanthin
- IUPAC
- (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
- 현지명
- 비올락산틴
- 영어명
- VIOLAXANTHIN
- 분자식
- C40H56O4
- 분자량
- 600.87
이름 및 동의어
Violaxanthin126-29-4all-trans-ViolaxanthinZeaxanthin diepoxidetrans-ViolaxanthinCHEBI:35288E 161e(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol51C926029ADTXSID9010169345,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta-carotene-3,3'-diol(3S,3'S,5R,5'R, 6S,6'S)-5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene-3,3'-diol
이름 더 보기
비올락산틴Violaxanthin(AS)Violaxanthin[52444]Zeaxanthin Impurity 19VIOLAXANTHIN (In Solution)Violaxanthin(AS) (In Solution)Violaxanthin - solution in ethanol
(1R,3S,6S)-6-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-1,5,5-trimethyl-7-oxabicyclo(4.1.0)heptan-3-olRefChem:194378CHEBI:27295DTXCID001475117Violoxanthin(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL5a,6a:5'a,6'a-Bisoxy-5,5',6,6'-tetrahydro-b,b-carotene-3b,3b'-diol
데이터베이스 식별자
- CAS
126-29-4- PubChem CID
- 448438
- DTXSID
DTXSID901016934- ChEBI
CHEBI:35288- UNII
- 51C926029A
- Nikkaji
- J8.626F
물성
구조 계산 물성
- XLogP
- 9.8
- 극성 표면적
- 65.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,270
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Melting Point208 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 200 ° · 200°
- 끓는 점
- 570.8 °C · 570.8°C (rough estimate)
- 밀도
- 0.9826 · 0.9826 (rough estimate)
- 굴절률
- 1.476 · 1.4760 (estimate)
- 저장 조건
- -70 °C · -70°C
- 용해도
- 클로로포름, 에틸아세테이트에 용해됨
- 물리적 상태
- 주황색 갈색 고체
- 산도 계수 (pKa)
- 14.56 · 14.56±0.70(Predicted)
- BRN
- 101269 · 101269
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- InChIKey
- SZCBXWMUOPQSOX-WVJDLNGLSA-N
- SMILES
- CC(/C=C/[C@@]12[C@](C)(O2)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C=C\[C@]34C(C)(C)C[C@H](O)C[C@]3(O4)C)C
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 29419090
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
응용 분야
용도trans-Violaxanthin, is a Carotenoid dye. It is a natural xanthophyll pigment with an orange color found in a variety of plants including pansies. It is approved to be used as a food additive and food coloring.
일반 설명Violaxanthins are natural pigmented constituents or carotenoids present in most fruits and vegetables.
상·하류 제품 정보
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