Chem
J-GLOBAL ID：200907019681513402   Nikkaji number：J1.379.240B

Termitomycesphin B

テルミトミセスフィンB
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： C43H81NO10
Molecular formula furigana： C43-H81-N-O10
Molecular weight： 772.118
InChI： InChI=1S/C43H81NO10/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-30-37(48)42(52)44-34(32-53-43-41(51)40(50)39(49)38(31-45)54-43)36(47)29-26-25-28-35(46)33(3)27-23-21-19-11-9-7-5-2/h26,29,34-41,43,45-51H,3-25,27-28,30-32H2,1-2H3,(H,44,52)/t34-,35?,36+,37+,38+,39+,40-,41+,43+/m0/s1
InChI key： YGHZUFAKQVBOFS-VZRAXIBUSA-N
SMILES： CCCCCCCCCCCCCCCC[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=CCCC(O)C(=C)CCCCCCCCC
Systematic name  (3)：
  • (2R)-N-[(1S,2R)-1-[(β-D-グルコピラノシルオキシ)メチル]-2,7-ジヒドロキシ-8-メチレン-3-ヘプタデセニル]-2-ヒドロキシオクタデカンアミド
  • (2R)-N-[(2S,3R)-3,8-ジヒドロキシ-9-メチリデン-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}オクタデカ-4-エン-2-イル]-2-ヒドロキシオクタデカンアミド
  • (2R)-N-[(2S,3R)-3,8-dihydroxy-9-methylidene-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]-2-hydroxyoctadecanamide
Other name (3)：
  • (2R)-N-[(1S,2R)-1-[(β-D-Glucopyranosyloxy)methyl]-2,7-dihydroxy-8-methylene-3-heptadecenyl]-2-hydroxyoctadecanamide
  • テルミトミセスフィンB
  • Termitomycesphin B
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