Chem
J-GLOBAL ID：200907086058246621   Nikkaji number：J20.737C

Pseudoivalin

プソイドイバリン
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： C15H20O3
Molecular formula furigana： C15-H20-O3
Molecular weight： 248.322
InChI： InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15-/m1/s1
InChI key： CLYBLORMANTURF-RGCMKSIDSA-N
SMILES： CC1=C2CC[C@@](C)(O)[C@@H]2C[C@H]2[C@@H](C1)OC(=O)C2=C
Systematic name  (3)：
  • (3aR)-3aα,4,4aα,5,6,7,9,9aα-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,9aR)-5-ヒドロキシ-5,8-ジメチル-3-メチリデン-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-アズレノ[6,5-b]フラン-2-オン
  • (3aR,4aR,5R,9aR)-5-hydroxy-5,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-azuleno[6,5-b]furan-2-one
Other name (3)：
  • プソイドイバリン
  • Pseudoivalin
  • (3aR)-3aα,4,4aα,5,6,7,9,9aα-Octahydro-5α-hydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one
CAS registry number： 1461-34-3
KEGG COMPOUND： C09534
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