Chem
J-GLOBAL ID：200907041064629709   Nikkaji number：J34.255F

Nigakilactone E

ニガキラクトンE
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： C24H34O8
Molecular formula furigana： C24-H34-O8
Molecular weight： 450.528
InChI： InChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3/t11-,13+,15-,16-,18+,19-,21-,22+,23-,24+/m1/s1
InChI key： ISYHXQAQWVPQKA-SNPVAWBPSA-N
SMILES： CO[C@@H]1[C@@H](OC(=O)C)[C@H]2[C@@]3(C)[C@@H](C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]24C)OC(=O)C[C@H]3[C@]1(C)O
Systematic name  (3)：
  • 11α-アセトキシ-13-ヒドロキシ-2,12β-ジメトキシピクラサ-2-エン-1,16-ジオン
  • (1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-14-ヒドロキシ-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,13R,14S,15R,16S,17R)-14-hydroxy-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E
  • Nigakilactone E
  • 11α-Acetoxy-13-hydroxy-2,12β-dimethoxypicras-2-ene-1,16-dione
CAS registry number： 28360-79-4
KEGG COMPOUND： C17030
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