Chem
J-GLOBAL ID：200907009924756966   Nikkaji number：J282.872C

Rugosal A

ルゴサールA
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： C15H22O4
Molecular formula furigana： C15-H22-O4
Molecular weight： 266.337
InChI： InChI=1S/C15H22O4/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(17)15(11,14)19-18-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
InChI key： NTVXLOKDTRVPSZ-FQKPHLNHSA-N
SMILES： CC(C)[C@H]1CC[C@]2(C)C[C@@H]3OO[C@]12[C@@H](O)C=C3C=O
Systematic name  (4)：
  • (1R)-5α,8aα-エピジオキシ-1β-イソプロピル-3aβ-メチル-8α-ヒドロキシ-1,2,3,3a,4,5,8,8a-オクタヒドロアズレン-6-カルボアルデヒド
  • (3R,3aR,4S,7S,8aR)-2,3,4,7,8,8a-ヘキサヒドロ-4-ヒドロキシ-8a-メチル-3-イソプロピル-1H-3a,7-エピジオキシアズレン-6-カルボアルデヒド
  • (1R,2R,5R,7S,10S)-10-ヒドロキシ-5-メチル-2-(プロパン-2-イル)-11,12-ジオキサトリシクロ[5.3.2.01,5]ドデカ-8-エン-8-カルバルデヒド
  • (1R,2R,5R,7S,10S)-10-hydroxy-5-methyl-2-(propan-2-yl)-11,12-dioxatricyclo[5.3.2.01,5]dodec-8-ene-8-carbaldehyde
Other name (6)：
  • ルゴサールA
  • Rugosal A
  • (1R)-5α,8aα-Epidioxy-1β-isopropyl-3aβ-methyl-8α-hydroxy-1,2,3,3a,4,5,8,8a-octahydroazulene-6-carbaldehyde
  • (3R,3aR,4S,7S,8aR)-2,3,4,7,8,8a-Hexahydro-4-hydroxy-8a-methyl-3-isopropyl-1H-3a,7-epidioxyazulene-6-carbaldehyde
  • Rugosal
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CAS registry number： 121387-05-1
KEGG COMPOUND： C09717
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