Chem
J-GLOBAL ID：200907037142267633   Nikkaji number：J16.142J

Gaillardin

ガイラルジン
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： C17H22O5
Molecular formula furigana： C17-H22-O5
Molecular weight： 306.358
InChI： InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m1/s1
InChI key： UTPGJEROJZHISI-DFGCRIRUSA-N
SMILES： CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](OC(=O)C3=C)C=C(C)[C@@H]12
Systematic name  (3)：
  • (3aR)-7α-アセトキシ-3aα,4,4aα,5,6,7,7aβ,9aβ-オクタヒドロ-5α-ヒドロキシ-5,8-ジメチル-3-メチレンアズレノ[6,5-b]フラン-2(3H)-オン
  • (3aR,4aR,5R,7S,7aS,9aS)-5-ヒドロキシ-5,8-ジメチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-アズレノ[6,5-b]フラン-7-イル アセタート
  • (3aR,4aR,5R,7S,7aS,9aS)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-7-yl acetate
Other name (3)：
  • ガイラルジン
  • Gaillardin
  • (3aR)-7α-Acetoxy-3aα,4,4aα,5,6,7,7aβ,9aβ-octahydro-5α-hydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one
CAS registry number： 14682-46-3
KEGG COMPOUND： C09455
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