Chem
J-GLOBAL ID：200907034291575805   Nikkaji number：J853.928F

Nidulalin A

ニズラリン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： C16H14O6
Molecular formula furigana： C16-H14-O6
Molecular weight： 302.282
InChI： InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1
InChI key： BVPTZDRKEDPTOX-WBMJQRKESA-N
SMILES： COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
Systematic name  (3)：
  • (4R)-4,4a-ジヒドロ-4β,8-ジヒドロキシ-6-メチル-9-オキソ-9H-キサンテン-4aα-カルボン酸メチル
  • メチル (4R,4aS)-4,8-ジヒドロキシ-6-メチル-9-オキソ-4a,9-ジヒドロ-4H-キサンテン-4a-カルボキシラート
  • methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4a,9-dihydro-4H-xanthene-4a-carboxylate
Other name (4)：
  • ニズラリンA
  • F-390
  • Nidulalin A
  • (4R)-4,4a-Dihydro-4β,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4aα-carboxylic acid methyl ester
CAS registry number： 162901-86-2
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