Chem
J-GLOBAL ID：201307099544056360   Nikkaji number：J3.174.796A

Virgineone

ビルギネオン
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： C40H63NO12
Molecular formula furigana： C40-H63-N-O12
Molecular weight： 749.939
InChI： InChI=1S/C40H63NO12/c1-26(34(46)33-35(47)31(41-39(33)51)23-27-19-21-29(44)22-20-27)15-11-7-5-6-9-13-17-28(43)16-12-8-3-2-4-10-14-18-30(45)25-52-40-38(50)37(49)36(48)32(24-42)53-40/h19-22,26,30-32,36-38,40,42,44-46,48-50H,2-18,23-25H2,1H3,(H,41,51)/t26-,30-,31-,32+,36+,37-,38-,40+/m0/s1
InChI key： WYXNNILAWDOXOQ-NSCVCWGXSA-N
SMILES： C[C@@H](CCCCCCCCC(=O)CCCCCCCCC[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=C1C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O)O
Systematic name  (3)：
  • (5S)-3-[(2S,21S)-1,21-ジヒドロキシ-2-メチル-11-オキソ-22-(β-D-マンノピラノシルオキシ)ドコサン-1-イリデン]-5α-(4-ヒドロキシベンジル)ピロリジン-2,4-ジオン
  • (5S)-3-[(2S,21S)-1,21-ジヒドロキシ-2-メチル-11-オキソ-22-{[(2R,3S,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}ドコシリデン]-5-[(4-ヒドロキシフェニル)メチル]ピロリジン-2,4-ジオン
  • (5S)-3-[(2S,21S)-1,21-dihydroxy-2-methyl-11-oxo-22-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Other name (3)：
  • (5S)-3-[(2S,21S)-1,21-Dihydroxy-2-methyl-11-oxo-22-(β-D-mannopyranosyloxy)docosane-1-ylidene]-5α-(4-hydroxybenzyl)pyrrolidine-2,4-dione
  • ビルギネオン
  • Virgineone
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