(8'R)-Luteoxanthin
基本情報
- CAS
95119-74-7- 標準SMILES
CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C- InChIKey
YNNRPBRNWWIQPQ-NYLVPTJESA-N- 分子式
- C40H56O4
- 平均分子量
- 600.9 g/mol
- 単同位体質量
- 600.41786026
概要
(8'R)-luteoxanthin has been reported in Rosa foetida and Brassica napus with data available.
名称と識別子
- 優先名称
- (8'R)-Luteoxanthin
- IUPAC
- (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14Z,16E)-17-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
名称と別名
(8'R)-LuteoxanthinLuteoxanthin, (8'R)-UNII-010H9J7N59(3S,5R,6S,3'S,5'R,8'R)-Luteoxanthin010H9J7N5995119-74-7beta,beta-Carotene-3,3'-diol, 5,6:5',8'-diepoxy-5,5',6,8'-tetrahydro-, (3S,3'S,5R,5'R,6S,8'R)-beta,beta-Carotene-3,3'-diol, 5,6:5',8'-diepoxy-5,5',6,8'-tetrahydro-, (3S,3'S,5R,5'R,6S,8'R,9-cis)-.BETA.,.BETA.-CAROTENE-3,3'-DIOL, 5,6:5',8'-DIEPOXY-5,5',6,8'-TETRAHYDRO-, (3S,3'S,5R,5'R,6S,8'R)-.BETA.,.BETA.-CAROTENE-3,3'-DIOL, 5,6:5',8'-DIEPOXY-5,5',6,8'-TETRAHYDRO-, (3S,3'S,5R,5'R,6S,8'R,9-CIS)-(2R,6S,7aR)-2-((2E,4E,6E,8E,10E,12E,14Z,16E)-17-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)heptan-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol(2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14Z,16E)-17-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
名称をさらに表示
RefChem:69789(3S,5R,6S,3'S,5'R,8'R)-5,6:5',8'-Diepoxy-5,6,5',8'-tetrahydro-beta,beta-carotene-3,3'-diolQ27231391
物性
構造計算による物性
- XLogP
- 9.4
- 極性表面積
- 62.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,380
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