Chem
J-GLOBAL ID：200907091893642256   Nikkaji number：J2.275.565J

(2S,3S,4R)-1-(β-D-Galactopyranosyloxy)-2-[[(R)-2-hydroxybehenoyl]amino]-14-methylpentadecane-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-メチルペンタデカン-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： C44H87NO10
Molecular formula furigana： C44-H87-N-O10
Molecular weight： 790.177
InChI： InChI=1S/C44H87NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-37(48)43(53)45-35(33-54-44-42(52)41(51)40(50)38(32-46)55-44)39(49)36(47)30-27-24-22-19-20-23-26-29-34(2)3/h34-42,44,46-52H,4-33H2,1-3H3,(H,45,53)/t35-,36+,37+,38+,39-,40-,41-,42+,44+/m0/s1
InChI key： XTDUEKJJTQPGBA-QQQABNRXSA-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)C
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-メチルペンタデカン-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}ペンタデカン-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}pentadecan-2-yl]-2-hydroxydocosanamide
Other name (1)：
  • (2S,3S,4R)-1-(β-D-Galactopyranosyloxy)-2-[[(R)-2-hydroxybehenoyl]amino]-14-methylpentadecane-3,4-diol
Thsaurus map：
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