Chem
J-GLOBAL ID：200907023325872322   Nikkaji number：J17.120D

Eremanthin

エレマンチン
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： C15H18O2
Molecular formula furigana： C15-H18-O2
Molecular weight： 230.307
InChI： InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13-,14-/m0/s1
InChI key： BWRZDLYJNURUHS-XUXIUFHCSA-N
SMILES： CC1=CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@H]1CCC2=C
Systematic name  (3)：
  • (3aS)-3aβ,4,6aβ,7,8,9,9aβ,9bα-オクタヒドロ-6-メチル-3,9-ビス(メチレン)アズレノ[4,5-b]フラン-2(3H)-オン
  • (3aS,6aR,9aR,9bS)-6-メチル-3,9-ジメチリデン-2H,3H,3aH,4H,6aH,7H,8H,9H,9aH,9bH-アズレノ[4,5-b]フラン-2-オン
  • (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-2H,3H,3aH,4H,6aH,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-one
Other name (5)：
  • エレマンチン
  • バニロスミン
  • Eremanthin
  • Vanillosmin
  • (3aS)-3aβ,4,6aβ,7,8,9,9aβ,9bα-Octahydro-6-methyl-3,9-bis(methylene)azuleno[4,5-b]furan-2(3H)-one
CAS registry number： 37936-58-6
KEGG COMPOUND： C09406
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