Chem
J-GLOBAL ID：200907052056895701   Nikkaji number：J34.231I

Nigakilactone C

ニガキラクトンC
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： C24H34O7
Molecular formula furigana： C24-H34-O7
Molecular weight： 434.529
InChI： InChI=1S/C24H34O7/c1-11-8-16(28-6)22(27)24(5)14(11)9-17-23(4)15(10-18(26)31-17)12(2)19(29-7)20(21(23)24)30-13(3)25/h8,11-12,14-15,17,19-21H,9-10H2,1-7H3/t11-,12-,14+,15+,17-,19+,20-,21+,23-,24+/m1/s1
InChI key： JFFUKRBVELYCPJ-FIKFPIMESA-N
SMILES： CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@@H]1OC(=O)C)[C@]23C
Systematic name  (3)：
  • 11α-アセトキシ-2,12β-ジメトキシピクラサ-2-エン-1,16-ジオン
  • (1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-4,15-ジメトキシ-2,6,14,17-テトラメチル-3,11-ジオキソ-10-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-4-エン-16-イル アセタート
  • (1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl acetate
Other name (3)：
  • ニガキラクトンC
  • Nigakilactone C
  • 11α-Acetoxy-2,12β-dimethoxypicras-2-ene-1,16-dione
CAS registry number： 24148-78-5
KEGG COMPOUND： C17029
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