Chem
J-GLOBAL ID:201107041728917551   Nikkaji number:J2.962.484D

Grandilodine C

グランジロジンC
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: C21H20N2O5
Molecular formula furigana: C21-H20-N2-O5
Molecular weight: 380.400
InChI: InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14?,19-,20-,21-/m1/s1
InChI key: STACHDUHGOCYFP-BJPDFRCHSA-N
SMILES: COC(=O)N1c2ccccc2[C@]23CCN4C(=O)C=C[C@@]54CC[C@]12C(C5)C(=O)O3
Systematic name  (3):
  • (1R,9R,16R)-13-オキソ-9,19-(オキシカルボニル)-2,12-ジアザペンタシクロ[14.2.2.01,9.03,8.012,16]イコサン-3,5,7,14-テトラエン-2-カルボン酸メチル
  • メチル (1R,9R,12R)-15,20-ジオキソ-19-オキサ-8,16-ジアザヘキサシクロ[8.8.2.29,12.01,9.02,7.012,16]ドコサ-2,4,6,13-テトラエン-8-カルボキシラート
  • methyl (1R,9R,12R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[8.8.2.29,12.01,9.02,7.012,16]docosa-2,4,6,13-tetraene-8-carboxylate
Other name (5):
  • (1R,9R,16R)-13-Oxo-9,19-(oxycarbonyl)-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosane-3,5,7,14-tetraene-2-carboxylic acid methyl ester
  • グランジロジンC
  • Grandilodine C
  • (+)-グランジロジンC
  • (+)-Grandilodine C
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