Chem
J-GLOBAL ID:201107097304670977   Nikkaji number:J2.922.323H

(1S,4S)-3′-Oxo-1-pentanoyl-3-propyl-6′,7′-dihydrospiro[bicyclo[2.2.2]octa-5-ene-2,1′(3′H)-isobenzofuran]-6-carboxylic acid

(1S,4S)-3′-オキソ-1-ペンタノイル-3-プロピル-6′,7′-ジヒドロスピロ[ビシクロ[2.2.2]オクタ-5-エン-2,1′(3′H)-イソベンゾフラン]-6-カルボン酸
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: C24H30O5
Molecular formula furigana: C24-H30-O5
Molecular weight: 398.499
InChI: InChI=1S/C24H30O5/c1-3-5-11-20(25)23-13-12-15(14-19(23)21(26)27)17(8-4-2)24(23)18-10-7-6-9-16(18)22(28)29-24/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3,(H,26,27)/t15-,17?,23+,24?/m0/s1
InChI key: NTHWZBJOVMVWOU-VJMJUVSSSA-N
SMILES: CCCCC(=O)[C@@]12CC[C@@H](C=C1C(=O)O)C(CCC)C12OC(=O)C2=C1CCC=C2
Systematic name  (3):
  • (1S,4S)-3′-オキソ-1-ペンタノイル-3-プロピル-6′,7′-ジヒドロスピロ[ビシクロ[2.2.2]オクタ-5-エン-2,1′(3′H)-イソベンゾフラン]-6-カルボン酸
  • (1'S,4'S)-3-オキソ-1'-ペンタノイル-3'-プロピル-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'-カルボン酸
  • (1'S,4'S)-3-oxo-1'-pentanoyl-3'-propyl-6,7-dihydro-3H-spiro[2-benzofuran-1,2'-bicyclo[2.2.2]octan]-5'-ene-6'-carboxylic acid
Other name (1):
  • (1S,4S)-3′-Oxo-1-pentanoyl-3-propyl-6′,7′-dihydrospiro[bicyclo[2.2.2]octa-5-ene-2,1′(3′H)-isobenzofuran]-6-carboxylic acid
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