기본 정보
- CAS
113085-05-5- 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\C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O- InChIKey
MQZIGYBFDRPAKN-SODZLZBXSA-N- 분자식
- C40H52O4
- 평균 분자량
- 596.8 g/mol
- 단동위원소 질량
- 596.38656014
이름 및 식별자
- 우선 이름
- Astaxanthin, (13Z)-
- IUPAC
- (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
- 영어명
- 13-CIS-ASTAXANTHIN
- 분자식
- C40H52O4
- 분자량
- 596.84
이름 및 동의어
13-cis-AstaxanthinAstaxanthin, (13Z)-113085-05-5859O384BEEbeta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S,13-cis)-(6S)-6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one(6S)-6-hydroxy-3-((1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-((4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-2,4,4-trimethylcyclohex-2-en-1-oneRefChem:107732213-Cis astaxanthin (constituent of astaxanthin esters)UNII-859O384BEE(13Z)-astaxanthin13-cis -astaxanthin
이름 더 보기
Vitamin B5 Impurity 8Astaxanthin Impurity 2β,β-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S,13-cis)-
SCHEMBL29496907SCHEMBL29496919MQZIGYBFDRPAKN-SODZLZBXSA-NQ27269622.BETA.,.BETA.-CAROTENE-4,4'-DIONE, 3,3'-DIHYDROXY-, (3S,3'S,13-CIS)-(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one(6S,6'S)-3,3'-((1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one)
데이터베이스 식별자
- CAS
113085-05-5- PubChem CID
- 91827159
- UNII
- 859O384BEE
- Nikkaji
- J994.942I
물성
구조 계산 물성
- XLogP
- 10.3
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,340
물리화학적 성질
- 끓는 점
- 774 · 774.0±60.0 °C(Predicted)
- 밀도
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- 저장 조건
- -70 °C · -70°C
- 산도 계수 (pKa)
- 12.33 · 12.33±0.70(Predicted)
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
안전 및 규제
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도13-cis-Astaxanthin may be used as an analytical reference standard for the determination of the analyte in different microalgae species and aquatic animals by chromatography-based techniques.
일반 설명13-cis-Astaxanthin is an isomer of astaxanthin, a red-pigment ketocarotenoid. Astaxanthin is predominantly found in marine animals. It is utilized as a feed supplement in fish/crustacean farms and also finds applications in cosmetics/ pharmaceutical industries, as an antioxidant.
공급사5 곳
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