Chem
J-GLOBAL ID：200907095193879498   Nikkaji number：J2.395.410I

Neohelmanthicin D

ネオヘルマンチシン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： C25H34O10
Molecular formula furigana： C25-H34-O10
Molecular weight： 494.537
InChI： InChI=1S/C25H34O10/c1-8-10-20(26)34-16(5)25(6,29)24(28)33-15(4)21(35-23(27)14(3)9-2)17-11-18(30-7)22-19(12-17)31-13-32-22/h9,11-12,15-16,21,29H,8,10,13H2,1-7H3/b14-9-/t15-,16+,21-,25-/m1/s1
InChI key： ZNTRAPMOQBZBJU-QVBAMLSBSA-N
SMILES： CCCC(=O)O[C@@H](C)[C@@](C)(O)C(=O)O[C@H](C)[C@@H](OC(=O)/C(=C\C)/C)c1cc2OCOc2c(OC)c1
Systematic name  (3)：
  • (2R,3S)-2-メチル-2-ヒドロキシ-3-(ブタノイルオキシ)ブタン酸(1R,2S)-1-メチル-2-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)-2-(アンゲロイルオキシ)エチル
  • (1S,2R)-2-{[(2R,3S)-3-(ブタノイルオキシ)-2-ヒドロキシ-2-メチルブタノイル]オキシ}-1-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)プロピル (2Z)-2-メチルブタ-2-エノアート
  • (1S,2R)-2-{[(2R,3S)-3-(butanoyloxy)-2-hydroxy-2-methylbutanoyl]oxy}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)propyl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • (2R,3S)-2-Methyl-2-hydroxy-3-(butanoyloxy)butanoic acid (1R,2S)-1-methyl-2-(7-methoxy-1,3-benzodioxole-5-yl)-2-(angeloyloxy)ethyl ester
  • ネオヘルマンチシンD
  • Neohelmanthicin D
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