Chem
J-GLOBAL ID：200907009435805075   Nikkaji number：J990.786F

Dihydronidulalin A

ジヒドロニズラリン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： C16H16O6
Molecular formula furigana： C16-H16-O6
Molecular weight： 304.298
InChI： InChI=1S/C16H16O6/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/h3,5-7,9,12,17-18H,4H2,1-2H3/t9-,12+,16-/m0/s1
InChI key： SQQVLPAZXRNECF-DUZHOBMZSA-N
SMILES： COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)[C@@H]1CC=C[C@H]2O
Systematic name  (7)：
  • (4R)-4β,8-ジヒドロキシ-6-メチル-9-オキソ-1,4,9,9aβ-テトラヒドロ-4aH-キサンテン-4aα-カルボン酸メチル
  • (4R)-4β,8-ジヒドロキシ-6-メチル-9-オキソ-1,4,4a,9aβ-テトラヒドロ-9H-キサンテン-4aα-カルボン酸メチル
  • (5R,8aα)-1,5α-ジヒドロキシ-3-メチル-5,8,8a,10a-テトラヒドロ-10aβ-(メトキシカルボニル)-9H-キサンテン9-オン
  • (4R,4aS,9aR)-1,4,4a,9a-テトラヒドロ-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
  • (10aS)-1,5α-ジヒドロキシ-3-メチル-9-オキソ-5,8,8aα,10a-テトラヒドロ-9H-キサンテン-10aβ-カルボン酸メチル
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Other name (7)：
  • (4R)-4β,8-Dihydroxy-6-methyl-9-oxo-1,4,9,9aβ-tetrahydro-4aH-xanthene-4aα-carboxylic acid methyl ester
  • (4R)-4β,8-Dihydroxy-6-methyl-9-oxo-1,4,4a,9aβ-tetrahydro-9H-xanthene-4aα-carboxylic acid methyl ester
  • (5R,8aα)-1,5α-Dihydroxy-3-methyl-5,8,8a,10a-tetrahydro-10aβ-(methoxycarbonyl)-9H-xanthene 9-one
  • (4R,4aS,9aR)-1,4,4a,9a-Tetrahydro-4β,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4aα-carboxylic acid methyl ester
  • ジヒドロニズラリンA
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