Chem
J-GLOBAL ID：200907037551301576   Nikkaji number：J28.608G

Nepetefuran

ネペテフラン
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： C22H28O6
Molecular formula furigana： C22-H28-O6
Molecular weight： 388.460
InChI： InChI=1S/C22H28O6/c1-14(23)28-16-10-22(13-27-22)17(5-4-15-6-9-25-11-15)21-8-3-7-20(2,18(16)21)19(24)26-12-21/h6,9,11,16-18H,3-5,7-8,10,12-13H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
InChI key： TUWIOVPLTXSCOF-WNHSNXHDSA-N
SMILES： CC(=O)O[C@@H]1C[C@@]2(CO2)[C@@H](CCc2ccoc2)[C@@]23CCC[C@@](C)([C@H]12)C(=O)OC3
Systematic name  (3)：
  • (2S,4′S)-5′α-アセトキシ-8′β-[2-(3-フリル)エチル]-4′,4′aβ,5′,6′-テトラヒドロ-4′-メチルスピロ[オキシラン-2,7′(8′H)-[3H-4β,8aβ]プロパノ[1H-2]ベンゾピラン]-3′-オン
  • (1'R,2S,2'S,5'R,6'R,7'S)-2'-[2-(フラン-3-イル)エチル]-7'-メチル-8'-オキソ-9'-オキサスピロ[オキシラン-2,3'-トリシクロ[5.3.3.01,6]トリデカン]-5'-イル アセタート
  • (1'R,2S,2'S,5'R,6'R,7'S)-2'-[2-(furan-3-yl)ethyl]-7'-methyl-8'-oxo-9'-oxaspiro[oxirane-2,3'-tricyclo[5.3.3.01,6]tridecan]-5'-yl acetate
Other name (3)：
  • ネペテフラン
  • Nepetefuran
  • (2S,4′S)-5′α-Acetoxy-8′β-[2-(3-furyl)ethyl]-4′,4′aβ,5′,6′-tetrahydro-4′-methylspiro[oxirane-2,7′(8′H)-[3H-4β,8aβ]propano[1H-2]benzopyran]-3′-one
CAS registry number： 29461-24-3
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