Chem
J-GLOBAL ID：200907025717328160   Nikkaji number：J1.379.242I

Termitomycesphin D

テルミトミセスフィンD
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/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-24-29-36(47)41(51)44-34(33-53-42-40(50)39(49)38(48)37(32-45)54-42)35(46)28-25-23-27-31-43(3,52)30-26-22-20-11-9-7-5-2/h25,27-28,31,34-40,42,45-50,52H,4-24,26,29-30,32-33H2,1-3H3,(H,44,51)/t34-,35+,36+,37+,38+,39-,40+,42+,43?/m0/s1
InChI key： QAILYARUQKXWON-FOLPCNCOSA-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=CCC=CC(C)(O)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]-2,8-ジヒドロキシ-8-メチル-3,6-ヘプタデカジエニル]-2-ヒドロキシオクタデカンアミド
  • (2R)-N-[(2S,3R)-3,9-ジヒドロキシ-9-メチル-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-4,7-ジエン-2-イル]-2-ヒドロキシオクタデカンアミド
  • (2R)-N-[(2S,3R)-3,9-dihydroxy-9-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,7-dien-2-yl]-2-hydroxyoctadecanamide
Other name (3)：
  • (2R)-N-[(1S,2R)-1-[(β-D-Glucopyranosyloxy)methyl]-2,8-dihydroxy-8-methyl-3,6-heptadecadienyl]-2-hydroxyoctadecanamide
  • テルミトミセスフィンD
  • Termitomycesphin D
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