Chem
J-GLOBAL ID：200907015131164294   Nikkaji number：J34.254H

Nigakilactone F

ニガキラクトンF
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： C22H32O7
Molecular formula furigana： C22-H32-O7
Molecular weight： 408.491
InChI： InChI=1S/C22H32O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-14,16-17,19,24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,16+,17-,19-,20+,21-,22+/m1/s1
InChI key： OFOPXAFBCZQTFU-KOEFXMDHSA-N
SMILES： CO[C@@H]1[C@@H](O)[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,13-ジヒドロキシ-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)-14,16-ジヒドロキシ-4,15-ジメトキシ-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,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-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F
  • Nigakilactone F
  • 11α,13-Dihydroxy-2,12β-dimethoxypicras-2-ene-1,16-dione
CAS registry number： 28387-43-1
KEGG COMPOUND： C17031
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