Chem
J-GLOBAL ID：201307008749520039   Nikkaji number：J3.164.488G

Didymellamide A

ジジメラミド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： C24H29NO7
Molecular formula furigana： C24-H29-N-O7
Molecular weight： 443.496
InChI： InChI=1S/C24H29NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h4-5,10-14,17,21-22,27,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,17-,21-,22-,24+/m0/s1
InChI key： DTNXMWNHACZCBK-KCDQIYCRSA-N
SMILES： C[C@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2C(=O)c1c(O)c(cn(O)c1=O)[C@]1(O)CCC(=O)[C@@H]2O[C@H]12
Systematic name  (3)：
  • 1-ヒドロキシ-3-(2β,6β-ジメチル-1α,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1-イルカルボニル)-4α-ヒドロキシ-5-[(1R)-1α-ヒドロキシ-2β,3β-エポキシ-4-オキソシクロヘキサン-1-イル]ピリジン-2-オン
  • 3-[(1S,2S,4aR,6S,8aS)-2,6-ジメチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-カルボニル]-1,4-ジヒドロキシ-5-[(1S,2R,6R)-2-ヒドロキシ-5-オキソ-7-オキサビシクロ[4.1.0]ヘプタン-2-イル]-1,2-ジヒドロピリジン-2-オン
  • 3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4-dihydroxy-5-[(1S,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]-1,2-dihydropyridin-2-one
Other name (3)：
  • 1-Hydroxy-3-(2β,6β-dimethyl-1α,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-ylcarbonyl)-4α-hydroxy-5-[(1R)-1α-hydroxy-2β,3β-epoxy-4-oxocyclohexane-1-yl]pyridine-2-one
  • ジジメラミドA
  • Didymellamide A
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