(5S)-3-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl)-1,4-dihydroxybutyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanone
基本情報
- CAS
170591-47-6- 標準SMILES
CCCCCCCCCC[C@@H]1O[C@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)CC[C@H]1O- InChIKey
PIKSSLVYUFERQJ-OKPRCEDISA-N- 分子式
- C37H66O8
- 平均分子量
- 638.9 g/mol
- 単同位体質量
- 638.47576906
概要
(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone has been reported in Annona mucosa with data available.
名称と識別子
- 優先名称
- (5S)-3-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl)-1,4-dihydroxybutyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanone
- IUPAC
- (2S)-4-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyl-5-hydroxyoxan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
名称と別名
(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone(2S)-4-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxyoxan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one170591-47-6(2S)-4-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl)oxolan-2-yl)-2-hydroxynonyl)-2-methyl-2H-furan-5-one(5S)-3-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl)-1,4-dihydroxybutyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanoneRefChem:209624DTXSID101099099
データベース識別子
- CAS
170591-47-6- PubChem CID
- 10009302
- DTXSID
DTXSID101099099- Nikkaji
- J718.581B
物性
構造計算による物性
- XLogP
- 8.2
- 極性表面積
- 126 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 24
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 833
関連反応
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