Chem
J-GLOBAL ID：200907042152118770   Nikkaji number：J1.379.241K

Termitomycesphin C

テルミトミセスフィンC
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： C41H77NO10
Molecular formula furigana： C41-H77-N-O10
Molecular weight： 744.064
InChI： InChI=1S/C41H77NO10/c1-4-6-8-10-12-13-14-15-16-17-19-22-27-34(45)39(49)42-32(31-51-40-38(48)37(47)36(46)35(30-43)52-40)33(44)26-23-21-25-29-41(3,50)28-24-20-18-11-9-7-5-2/h23,25-26,29,32-38,40,43-48,50H,4-22,24,27-28,30-31H2,1-3H3,(H,42,49)/t32-,33+,34+,35+,36+,37-,38+,40+,41?/m0/s1
InChI key： HHXPTAVGZWZRFI-MKYPPABCSA-N
SMILES： CCCCCCCCCCCCCC[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-ヒドロキシヘキサデカンアミド
  • (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-ヒドロキシヘキサデカンアミド
  • (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-hydroxyhexadecanamide
Other name (3)：
  • (2R)-N-[(1S,2R)-1-[(β-D-Glucopyranosyloxy)methyl]-2,8-dihydroxy-8-methyl-3,6-heptadecadienyl]-2-hydroxyhexadecanamide
  • テルミトミセスフィンC
  • Termitomycesphin C
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