Chem
J-GLOBAL ID：200907059504390920   Nikkaji number：J1.297.109E

Xeniafraunol B

キセニアファラウノールB
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： C20H28O3
Molecular formula furigana： C20-H28-O3
Molecular weight： 316.441
InChI： InChI=1S/C20H28O3/c1-12(2)9-14-10-15(11-21)16-7-8-20(4)17(23-20)6-5-13(3)18(16)19(14)22/h9-11,14,16-19,22H,3,5-8H2,1-2,4H3/t14-,16-,17+,18+,19+,20+/m1/s1
InChI key： CFQKEQFAVMVVIF-QIXFSGBHSA-N
SMILES： CC(=C[C@@H]1C=C(C=O)[C@H]2CC[C@]3(C)O[C@H]3CCC(=C)[C@@H]2[C@H]1O)C
Systematic name  (3)：
  • (3R,8S,9S)-8,9-エポキシ-3β-(2-メチル-1-プロペニル)-4α-ヒドロキシ-9-メチル-4,4aα,5,6,7,8,9,10,11,11aβ-デカヒドロ-5-メチレン-3H-ベンゾシクロノネン-1-カルボアルデヒド
  • (1S,4S,6S,10R,11S,12R)-11-ヒドロキシ-4-メチル-9-メチリデン-12-(2-メチルプロパ-1-エン-1-イル)-5-オキサトリシクロ[8.4.0.04,6]テトラデカ-13-エン-14-カルバルデヒド
  • (1S,4S,6S,10R,11S,12R)-11-hydroxy-4-methyl-9-methylidene-12-(2-methylprop-1-en-1-yl)-5-oxatricyclo[8.4.0.04,6]tetradec-13-ene-14-carbaldehyde
Other name (3)：
  • (3R,8S,9S)-8,9-Epoxy-3β-(2-methyl-1-propenyl)-4α-hydroxy-9-methyl-4,4aα,5,6,7,8,9,10,11,11aβ-decahydro-5-methylene-3H-benzocyclononene-1-carbaldehyde
  • キセニアファラウノールB
  • Xeniafraunol B
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