기본 정보
- CAS
650-69-1- 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=O)C(C)(C)C[C@H](O)C1- InChIKey
AVPAEFHIEZLSLZ-QCPGYTKSSA-N- 분자식
- C30H40O2
- 평균 분자량
- 432.6 g/mol
- 단동위원소 질량
- 432.30283051
개요
(3R)-3-hydroxy-8'-apo-beta-carotenal is an apo carotenoid triterpenoid compound consisting of 8'-apo-beta-carotene having an aldehyde group in the 8'-position and an (R)-hydroxy substituent at the 3-position. It has a role as a plant metabolite. It is an apo carotenoid triterpenoid and an enal.
이름 및 식별자
- 우선 이름
- (2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal
- IUPAC
- (2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal
이름 및 동의어
beta-CitraurinApo-8'-zeaxanthinal650-69-1All-trans-beta-citraurin3-Hydroxy-beta-apo-8'-carotenalbeta-Citraurin, all-trans-GRI2528DO73beta-hydroxy-8'-apo-beta-carotenal(3R)-3-Hydroxy-beta-apo-8'-carotenal(2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal2,4,6,8,10,12,14,16-Heptadecaoctaenal, 17-((4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E,16E)-(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal
이름 더 보기
(2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenalRefChem:10498078'-Apozeaxanthinal(3R)-3-hydroxy-8'-apo-beta-caroten-8'-al(3R)-3-hydroxy-8'-apo-beta-carotenalbeta-Citraurin [MI]UNII-GRI2528DO7.BETA.-CITRAURIN
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 922
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