Chem
J-GLOBAL ID：201307091743902724   Nikkaji number：J3.174.795C

Virgineone aglycone

ビルギネオンアグリコン
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： C34H53NO7
Molecular formula furigana： C34-H53-N-O7
Molecular weight： 587.798
InChI： InChI=1S/C34H53NO7/c1-25(32(40)31-33(41)30(35-34(31)42)23-26-19-21-28(38)22-20-26)15-11-7-5-6-9-13-17-27(37)16-12-8-3-2-4-10-14-18-29(39)24-36/h19-22,25,29-30,36,38-40H,2-18,23-24H2,1H3,(H,35,42)/t25?,29-,30-/m0/s1
InChI key： DYKKXKFEQARYPQ-PBHOPYEPSA-N
SMILES： CC(CCCCCCCCC(=O)CCCCCCCCC[C@H](O)CO)C(=C1C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O)O
Systematic name  (3)：
  • (5S)-3-[(21S)-1,21,22-トリヒドロキシ-2-メチル-11-オキソドコサン-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)-5-[(4-ヒドロキシフェニル)メチル]-3-[(21S)-1,21,22-トリヒドロキシ-2-メチル-11-オキソドコシリデン]ピロリジン-2,4-ジオン
  • (5S)-5-[(4-hydroxyphenyl)methyl]-3-[(21S)-1,21,22-trihydroxy-2-methyl-11-oxodocosylidene]pyrrolidine-2,4-dione
Other name (3)：
  • (5S)-3-[(21S)-1,21,22-Trihydroxy-2-methyl-11-oxodocosane-1-ylidene]-5α-(4-hydroxybenzyl)pyrrolidine-2,4-dione
  • ビルギネオンアグリコン
  • Virgineone aglycone
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