Chem
J-GLOBAL ID:200907022769346787   Nikkaji number:J1.379.239I

Termitomycesphin A

テルミトミセスフィンA
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/c1-4-6-8-10-12-13-14-15-16-18-20-22-28-35(46)40(50)42-32(30-51-41-39(49)38(48)37(47)36(29-43)52-41)34(45)27-24-23-26-33(44)31(3)25-21-19-17-11-9-7-5-2/h24,27,32-39,41,43-49H,3-23,25-26,28-30H2,1-2H3,(H,42,50)/t32-,33?,34+,35+,36+,37+,38-,39+,41+/m0/s1
InChI key: OJWZQESYKTYPLG-NWSCKOIPSA-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=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-ヒドロキシヘキサデカンアミド
  • (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-ヒドロキシヘキサデカンアミド
  • (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-hydroxyhexadecanamide
Other name (3):
  • (2R)-N-[(1S,2R)-1-[(β-D-Glucopyranosyloxy)methyl]-2,7-dihydroxy-8-methylene-3-heptadecenyl]-2-hydroxyhexadecanamide
  • テルミトミセスフィンA
  • Termitomycesphin A
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