Chem
J-GLOBAL ID：200907006560466062   Nikkaji number：J17.187E

Helminthosporal

ヘルミントスポラール
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： C15H22O2
Molecular formula furigana： C15-H22-O2
Molecular weight： 234.339
InChI： InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7-9,11,13-14H,5-6H2,1-4H3/t11-,13+,14-,15+/m1/s1
InChI key： VQXZGZPEZBQXFZ-BEAPCOKYSA-N
SMILES： CC(C)[C@H]1CC[C@]2(C)[C@@H](C=O)[C@H]1C(=C2C)C=O
Systematic name  (3)：
  • (1R,5S,8-anti)-1,7-ジメチル-4α-イソプロピルビシクロ[3.2.1]オクタ-6-エン-6,8-ジカルボアルデヒド
  • (1R,4R,5S,8S)-1,7-ジメチル-4-(プロパン-2-イル)ビシクロ[3.2.1]オクタ-6-エン-6,8-ジカルバルデヒド
  • (1R,4R,5S,8S)-1,7-dimethyl-4-(propan-2-yl)bicyclo[3.2.1]oct-6-ene-6,8-dicarbaldehyde
Other name (3)：
  • ヘルミントスポラール
  • Helminthosporal
  • (1R,5S,8-anti)-1,7-Dimethyl-4α-isopropylbicyclo[3.2.1]oct-6-ene-6,8-dicarbaldehyde
CAS registry number： 723-61-5
KEGG COMPOUND： C09677
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