Chem
J-GLOBAL ID：200907000031358469
Nikkaji number：J2.268.860J
3-O-Heptyl-L-mannitol
3-O-ヘプチル-L-マンニトール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C13H28O6
Molecular formula furigana： C13-H28-O6
Molecular weight： 280.361
InChI：
InChI=1S/C13H28O6/c1-2-3-4-5-6-7-19-13(11(17)9-15)12(18)10(16)8-14/h10-18H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1
InChI key：
CQTRCOMFJOPYNS-CYDGBPFRSA-N
SMILES：
CCCCCCCO[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H](O)CO
Systematic name (3)：
- 3-O-ヘプチル-L-マンニトール
- (2S,3S,4S,5S)-4-(ヘプチルオキシ)ヘキサン-1,2,3,5,6-ペンタオール
- (2S,3S,4S,5S)-4-(heptyloxy)hexane-1,2,3,5,6-pentol
- 3-O-Heptyl-L-mannitol
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