Chem
J-GLOBAL ID:200907026103093707   Nikkaji number:J1.887.033I

(1S,4R)-1-[[(1S)-1α-Methyl-1,2,3,4-tetrahydro-β-carboline]-2-ylcarbonyl]-4,7,7-trimethyl-6-oxabicyclo[2.2.1]heptane-5-one

(1S,4R)-1-[[(1S)-1α-メチル-1,2,3,4-テトラヒドロ-β-カルボリン]-2-イルカルボニル]-4,7,7-トリメチル-6-オキサビシクロ[2.2.1]ヘプタン-5-オン
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: C22H26N2O3
Molecular formula furigana: C22-H26-N2-O3
Molecular weight: 366.461
InChI: InChI=1S/C22H26N2O3/c1-13-17-15(14-7-5-6-8-16(14)23-17)9-12-24(13)18(25)22-11-10-21(4,19(26)27-22)20(22,2)3/h5-8,13,23H,9-12H2,1-4H3/t13-,21-,22+/m0/s1
InChI key: JJMDYSBWIDIQLI-QVXRUGPVSA-N
SMILES: C[C@@H]1N(CCc2c1[nH]c1ccccc21)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C
Systematic name  (3):
  • (1S,4R)-1-[[(1S)-1α-メチル-1,2,3,4-テトラヒドロ-β-カルボリン]-2-イルカルボニル]-4,7,7-トリメチル-6-オキサビシクロ[2.2.1]ヘプタン-5-オン
  • (1S,4R)-4,7,7-トリメチル-1-[(1S)-1-メチル-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-2-カルボニル]-2-オキサビシクロ[2.2.1]ヘプタン-3-オン
  • (1S,4R)-4,7,7-trimethyl-1-[(1S)-1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
Other name (1):
  • (1S,4R)-1-[[(1S)-1α-Methyl-1,2,3,4-tetrahydro-β-carboline]-2-ylcarbonyl]-4,7,7-trimethyl-6-oxabicyclo[2.2.1]heptane-5-one
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