기본 정보
- CAS
432-70-2- 표준 SMILES
CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C- InChIKey
ANVAOWXLWRTKGA-NTXLUARGSA-N- 분자식
- C40H56
- 평균 분자량
- 536.9 g/mol
- 단동위원소 질량
- 536.43820179
개요
(6'R)-beta,epsilon-carotene is an alpha-carotene. It is an enantiomer of a (6'S)-beta,epsilon-carotene.
이름 및 식별자
- 우선 이름
- Alpha-Carotene
- IUPAC
- 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
- 영어명
- Carotene
- 분자식
- C40H56
- 분자량
- 536.89
이름 및 동의어
7488-99-5ALPHA-CAROTENE(6'R)-beta,epsilon-Carotene(+)-alpha-CaroteneHi-Alpha45XWE1Z69V1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexeneCHEBI:28425CHEBI:35147DTXSID00893691C05433(ALL-E)-1,3,3-TRIMETHYL-2-(3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-1,3,5,7,9,11,13,15,17-OCTADECANONAENYL)CYCLOHEXENE
이름 더 보기
α-CaroteneA-CAROTENECaroteneRenierateneCAROTENE, A-IsorenierateneCAROTENE, ALPHA-CISALPHA-CAROTENE
1,3,3-TRIMETHYL-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-1,3,5,7,9,11,13,15,17-OCTADECANONAEN-1-YL)CYCLOHEXENE1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((1R)-2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohexeneRefChem:555426(6'R)-beta, epsilon-caroteneDTXCID0013237363,7,12,16-tetramethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)-octadeca-1,3,5,7,9,11,13,15,17-nonaene1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohexene432-70-2
물성
구조 계산 물성
- XLogP
- 13.6
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,200
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Melting Point187.5 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 187.5 ° · 187.50° (evacuated tube)
- 끓는 점
- 644.94 °C · 644.94°C (rough estimate)
- 밀도
- 0.938 · 0.9380 (estimate)
- 굴절률
- 1.563 · 1.5630 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨)
- 물리적 상태
- Solid
- 색상
- 주황색에서 매우 어두운 주황색까지
- 냄새
- 약간의 특유의 냄새
- BRN
- 3227603 · 3227603
- 안정성
- 감광성, 온도 민감성
- InChIKey
- ANVAOWXLWRTKGA-MBKINWJBNA-N
- SMILES
- C(/[C@H]1C(=CCCC1(C)C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C |&1:1,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
.beta.,.epsilon.-Carotene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
.beta.,.epsilon.-Carotene, (6'R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- ridadr
- UN 1593 6.1/PG 3
- HS 번호
- 32041990
- risk_code
- 40-67-36/37/38
- hazard_code
- Xn
- safety_code
- 36/37-24/25-23
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
응용 분야
개요α-Carotene is a precursor of vitamin A that has been found in various fruits and vegetables. It inhibits proliferation of GOTO human neuroblastoma cells more potently than β-carotene and halts the cell cycle at the G0/G1 phase concomitantly with a reduction in the mRNA expression of the protooncogene N-Myc. It is also more potent than β-carotene in mouse models of skin and lung carcinogenesis and decreases the number of hepatomas in mice with spontaneous liver carcinogenesis when administered in drinking water at a concentration of 0.05%. α-Carotene levels are increased in patients with coronary heart disease and are inversely correlated with the risk of estrogen receptor-negative breast cancer.
용도carotene is used to provide a red-orange color in cosmetic formulations. It is the primary yellow coloring component of butter, carrots, and egg yolk. Carotene is found in plants as well as in many animal tissues.
일반 설명α-Carotene is a carotenoid, which shows anticarcinogenic activity.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…