Chem
J-GLOBAL ID：200907078826097638   Nikkaji number：J4.184J

NSC-139168

ネオクアシン
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： C22H30O6
Molecular formula furigana： C22-H30-O6
Molecular weight： 390.476
InChI： InChI=1S/C22H30O6/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/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3
InChI key： BDQNCUODBJZKIY-UHFFFAOYSA-N
SMILES： COC1=CC(C)C2CC3OC(O)CC4C(=C(OC)C(=O)C(C34C)C2(C)C1=O)C
Systematic name  (3)：
  • 3a,4,5,6a,7,7a,8,11a,11b,11c-デカヒドロ-5-ヒドロキシ-2,10-ジメトキシ-3,8,11a,11c-テトラメチルフェナントロ[10,1-bc]ピラン-1,11-ジオン
  • 11-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-4,14-ジエン-3,16-ジオン
  • 11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
Other name (9)：
  • ネオクアシン
  • Neoquassin
  • 3a,4,5,6a,7,7a,8,11a,11b,11c-Decahydro-5-hydroxy-2,10-dimethoxy-3,8,11a,11c-tetramethylphenanthro[10,1-bc]pyran-1,11-dione
  • ネオクアッシン
  • ニガキヘミアセタールB
Show all
CAS registry number： 76-77-7
KEGG COMPOUND： C08771
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