Chem
J-GLOBAL ID：200907022315650244   Nikkaji number：J12.745K

Ivalin

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/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1
InChI key： OVIILQQKQPCQTF-GGAZOKNXSA-N
SMILES： C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]1C(=C)C[C@H](O)C2
Systematic name  (5)：
  • (3aR,4aα,9aα)-3a,4,4a,5,6,7,8,8a,9,9a-デカヒドロ-7α-ヒドロキシ-8aβ-メチル-3,5-ビス(メチレン)ナフト[2,3-b]フラン-2(3H)-オン
  • (3aR)-7α-ヒドロキシ-3,5-ビスメチレン-8aβ-メチル-3aα,4,4aα,5,6,7,8,8a,9,9aα-デカヒドロナフト[2,3-b]フラン-2(3H)-オン
  • (3aR)-7α-ヒドロキシ-3,5-ビスメチレン-8aβ-メチル-3a,4,4aα,5,6,7,8,8a,9,9aα-デカヒドロナフト[2,3-b]フラン-2(3H)-オン
  • (3aR,4aS,7S,8aR,9aR)-7-ヒドロキシ-8a-メチル-3,5-ジメチリデン-ドデカヒドロナフト[2,3-b]フラン-2-オン
  • (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-dodecahydronaphtho[2,3-b]furan-2-one
Other name (5)：
  • イバリン
  • Ivalin
  • (3aR,4aα,9aα)-3a,4,4a,5,6,7,8,8a,9,9a-Decahydro-7α-hydroxy-8aβ-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
  • (3aR)-7α-Hydroxy-3,5-bismethylene-8aβ-methyl-3aα,4,4aα,5,6,7,8,8a,9,9aα-decahydronaphtho[2,3-b]furan-2(3H)-one
  • (3aR)-7α-Hydroxy-3,5-bismethylene-8aβ-methyl-3a,4,4aα,5,6,7,8,8a,9,9aα-decahydronaphtho[2,3-b]furan-2(3H)-one
CAS registry number： 5938-03-4
KEGG COMPOUND： C09488
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