Chem
J-GLOBAL ID：200907066443410792   Nikkaji number：J2.275.561G

(2S,3S,4R)-1-(β-D-Galactopyranosyloxy)-2-[[(R)-2-hydroxybehenoyl]amino]-14-methylhexadecane-3,4-diol

(2S,3S,4R)-1-(β-D-ガラクトピラノシルオキシ)-2-[[(R)-2-ヒドロキシベヘノイル]アミノ]-14-メチルヘキサデカン-3,4-ジオール
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： C45H89NO10
Molecular formula furigana： C45-H89-N-O10
Molecular weight： 804.204
InChI： InChI=1S/C45H89NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-23-20-21-24-27-30-35(3)5-2/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t35?,36-,37+,38+,39+,40-,41-,42-,43+,45+/m0/s1
InChI key： YCNJUALTJHZPNL-MHXMOCLNSA-N
SMILES： CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCC(C)CC
Systematic name  (3)：
  • (2S,3S,4R)-1-(β-D-ガラクトピラノシルオキシ)-2-[[(R)-2-ヒドロキシベヘノイル]アミノ]-14-メチルヘキサデカン-3,4-ジオール
  • (2R)-N-[(2S,3S,4R)-3,4-ジヒドロキシ-14-メチル-1-{[(2R,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}ヘキサデカン-2-イル]-2-ヒドロキシドコサンアミド
  • (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-14-methyl-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecan-2-yl]-2-hydroxydocosanamide
Other name (1)：
  • (2S,3S,4R)-1-(β-D-Galactopyranosyloxy)-2-[[(R)-2-hydroxybehenoyl]amino]-14-methylhexadecane-3,4-diol
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