Chem
J-GLOBAL ID：200907090762048301   Nikkaji number：J34.233E

Nigakilactone A

ニガキラクトン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： C21H30O6
Molecular formula furigana： C21-H30-O6
Molecular weight： 378.465
InChI： InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14,16-18,23-24H,7-8H2,1-5H3/t9-,10-,11+,12+,14-,16+,17-,18+,20-,21+/m1/s1
InChI key： ZIVURVYGGHVTQO-CUCOLZSJSA-N
SMILES： COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
Systematic name  (3)：
  • 11α,12β-ジヒドロキシ-2-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)-15,16-ジヒドロキシ-4-メトキシ-2,6,14,17-テトラメチル-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-3,11-ジオン
  • (1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Other name (3)：
  • ニガキラクトンA
  • Nigakilactone A
  • 11α,12β-Dihydroxy-2-methoxypicras-2-ene-1,16-dione
CAS registry number： 24148-76-3
KEGG COMPOUND： C17012
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