Chem
J-GLOBAL ID：200907096281607860   Nikkaji number：J19.502B

Montanin A

モンタニン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： C19H20O4
Molecular formula furigana： C19-H20-O4
Molecular weight： 312.365
InChI： InChI=1S/C19H20O4/c1-11-7-15-17-13(10-22-15)3-2-4-14(17)19(11)8-16(23-18(19)20)12-5-6-21-9-12/h5-6,9-11,14,16H,2-4,7-8H2,1H3/t11-,14+,16+,19-/m1/s1
InChI key： CZGWUKXZLUIKBU-IUYNRSMJSA-N
SMILES： C[C@@H]1Cc2occ3CCC[C@@H](c23)[C@]21C[C@H](OC2=O)c1ccoc1
Systematic name  (3)：
  • (5′aS,3R,5S)-5-(3-フリル)-3′,4,4′,5,5′,5′a,7′,8′-オクタヒドロ-7′α-メチルスピロ[フラン-3(2H),6′-[6H]ナフト[1,8-bc]フラン]-2-オン
  • (3R,5S,6'R,8'S)-5-(フラン-3-イル)-6'-メチル-3'-オキサスピロ[オキソラン-3,7'-トリシクロ[6.3.1.04,12]ドデカン]-1',4'(12')-ジエン-2-オン
  • (3R,5S,6'R,8'S)-5-(furan-3-yl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.04,12]dodecane]-1',4'(12')-dien-2-one
Other name (3)：
  • モンタニンA
  • Montanin A
  • (5′aS,3R,5S)-5-(3-Furyl)-3′,4,4′,5,5′,5′a,7′,8′-octahydro-7′α-methylspiro[furan-3(2H),6′-[6H]naphtho[1,8-bc]furan]-2-one
CAS registry number： 68370-49-0
KEGG COMPOUND： C09136
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