Chem
J-GLOBAL ID:200907018280864788   Nikkaji number:J1.882.704B

(1R,2S,4α)-1β-Valeryl-3′-oxo-6′,7′-dihydrospiro[bicyclo[2.2.2]octane-2,1′(3′H)-isobenzofuran]-5-ene-6-carboxylic acid methyl ester

(1R,2S,4α)-1β-バレリル-3′-オキソ-6′,7′-ジヒドロスピロ[ビシクロ[2.2.2]オクタン-2,1′(3′H)-イソベンゾフラン]-5-エン-6-カルボン酸メチル
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: C22H26O5
Molecular formula furigana: C22-H26-O5
Molecular weight: 370.445
InChI: InChI=1S/C22H26O5/c1-3-4-9-18(23)21-11-10-14(12-17(21)20(25)26-2)13-22(21)16-8-6-5-7-15(16)19(24)27-22/h5,7,12,14H,3-4,6,8-11,13H2,1-2H3/t14-,21+,22+/m1/s1
InChI key: VOTXVTMSXITNCW-GBSMKCJWSA-N
SMILES: CCCCC(=O)[C@@]12CC[C@@H](C[C@]31OC(=O)C1=C3CCC=C1)C=C2C(=O)OC
Systematic name  (3):
  • (1R,2S,4α)-1β-バレリル-3′-オキソ-6′,7′-ジヒドロスピロ[ビシクロ[2.2.2]オクタン-2,1′(3′H)-イソベンゾフラン]-5-エン-6-カルボン酸メチル
  • メチル (1S,1'R,4'S)-3-オキソ-1'-ペンタノイル-6,7-ジヒドロ-3H-スピロ[2-ベンゾフラン-1,2'-ビシクロ[2.2.2]オクタン]-5'-エン-6'-カルボキシラート
  • methyl (1S,1'R,4'S)-3-oxo-1'-pentanoyl-6,7-dihydro-3H-spiro[2-benzofuran-1,2'-bicyclo[2.2.2]octan]-5'-ene-6'-carboxylate
Other name (1):
  • (1R,2S,4α)-1β-Valeryl-3′-oxo-6′,7′-dihydrospiro[bicyclo[2.2.2]octane-2,1′(3′H)-isobenzofuran]-5-ene-6-carboxylic acid methyl ester
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