Chem
J-GLOBAL ID：200907045095522142   Nikkaji number：J726.323F

Agelasphin 11

アゲラスフィン11
Substance type：
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
Molecular formula： C49H97NO10
Molecular formula furigana： C49-H97-N-O10
Molecular weight： 860.312
InChI： InChI=1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39?,40-,41+,42+,43+,44-,45-,46-,47+,49-/m0/s1
InChI key： CWDKQZNZOJUUBP-SBOGZJMMSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCC(C)CC
Systematic name  (3)：
  • (2S,3S,4R)-1-(α-D-ガラクトピラノシルオキシ)-2-[[(R)-2-ヒドロキシテトラコサノイル]アミノ]-16-メチルオクタデカン-3,4-ジオール
  • (2R)-N-[(2S,3S,4R)-3,4-ジヒドロキシ-16-メチル-1-{[(2S,3R,4S,5R,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}オクタデカン-2-イル]-2-ヒドロキシテトラコサンアミド
  • (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl]-2-hydroxytetracosanamide
Other name (3)：
  • アゲラスフィン11
  • Agelasphin 11
  • (2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-2-[[(R)-2-hydroxytetracosanoyl]amino]-16-methyloctadecane-3,4-diol
CAS registry number： 152139-44-1
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