Chem
J-GLOBAL ID：200907088256540333   Nikkaji number：J13.927K

Quassin

クアッシン
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： C22H28O6
Molecular formula furigana： C22-H28-O6
Molecular weight： 388.460
InChI： InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
InChI key： IOSXSVZRTUWBHC-LBTVDEKVSA-N
SMILES： COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O)C
Systematic name  (4)：
  • 3aβ,6aβ,7,7aα,8,11a,11bα,11c-オクタヒドロ-2,10-ジメトキシ-3,8α,11aβ,11cβ-テトラメチルフェナントロ[10,1-bc]ピラン-1,5,11(4H)-トリオン
  • 2,12-ジメトキシピクラサ-2,12-ジエン-1,11,16-トリオン
  • (1S,2S,6S,7S,9R,13R,17S)-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-4,14-ジエン-3,11,16-トリオン
  • (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
Other name (9)：
  • クアッシン
  • ニガキラクトンD
  • Quassin
  • Nigakilactone D
  • 3aβ,6aβ,7,7aα,8,11a,11bα,11c-Octahydro-2,10-dimethoxy-3,8α,11aβ,11cβ-tetramethylphenanthro[10,1-bc]pyran-1,5,11(4H)-trione
Show all
CAS registry number： 76-78-8
Regulation number (2)：
  • EINECS2009859
  • TSCA(76-78-8)
KEGG COMPOUND： C08778
Application (3)：
natural insecticide ,  repellent ,  acaricide
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