Chem
J-GLOBAL ID：200907002624529734
Nikkaji number：J522.066A
(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-2-[30-hydroxytriacontanoylamino]-4-icosen-3-ol
(2S,3R,4E)-1-(β-D-グルコピラノシルオキシ)-2-[30-ヒドロキシトリアコンタノイルアミノ]-4-イコセン-3-オール
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： C56H109NO9
Molecular formula furigana： C56-H109-N-O9
Molecular weight： 940.486
InChI：
InChI=1S/C56H109NO9/c1-2-3-4-5-6-7-8-9-23-26-29-32-35-38-41-44-50(60)49(48-65-56-55(64)54(63)53(62)51(47-59)66-56)57-52(61)45-42-39-36-33-30-27-24-21-19-17-15-13-11-10-12-14-16-18-20-22-25-28-31-34-37-40-43-46-58/h41,44,49-51,53-56,58-60,62-64H,2-40,42-43,45-48H2,1H3,(H,57,61)/b44-41+/t49-,50+,51+,53+,54-,55+,56+/m0/s1
InChI key：
JPXYDZKYWNZNCQ-YZUIQQPISA-N
SMILES：
CCCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Systematic name (3)：
- (2S,3R,4E)-1-(β-D-グルコピラノシルオキシ)-2-[30-ヒドロキシトリアコンタノイルアミノ]-4-イコセン-3-オール
- 30-ヒドロキシ-N-[(2S,3R,4E)-3-ヒドロキシ-1-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}イコサ-4-エン-2-イル]トリアコンタンアミド
- 30-hydroxy-N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-4-en-2-yl]triacontanamide
- (2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-2-[30-hydroxytriacontanoylamino]-4-icosen-3-ol
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