Chem
J-GLOBAL ID：202107007591987771   Nikkaji number：J3.758.496G

(-)-Haliclonin A

(-)-ハリクロニンA
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： C32H48N2O4
Molecular formula furigana： C32-H48-N2-O4
Molecular weight： 524.746
InChI： InChI=1S/C32H48N2O4/c35-25-33-19-14-10-6-2-1-5-9-13-18-32-23-28-27(17-21-33)30(37)29(32)22-26(36)16-12-8-4-3-7-11-15-20-34(24-32)31(28)38/h3,7-8,12,22,25-28,36H,1-2,4-6,9-11,13-21,23-24H2/b7-3-,12-8-,29-22-/t26-,27-,28+,32+/m1/s1
InChI key： SBSCPVCMUMQRMB-AKHRUWEDSA-N
SMILES： C1(=O)[C@H]2[C@@H]3C[C@@]4(/C/1=C\[C@@H](C/C=C\C/C=C\CCCN(C3=O)C4)O)CCCCCCCCCCN(CC2)C=O
Systematic name  (3)：
  • (6Z,9Z,12R,15R,16S,17aR)-12-ヒドロキシ-2,3,4,5,8,11,12,14,15,16,17,17a-ドデカヒドロ-2,16-カルボニル-15,17a-(3ホルミル-3-アザトリデカン-1,13-ジイル)-1H-2-ベンゾアザシクロペンタデシン-14-オン
  • (1R,15R,17E,19R,21Z,24Z,31S)-19-ヒドロキシ-16,30-ジオキソ-12,29-ジアザテトラシクロ[27.3.1.01,17.015,31]トリトリアコンタ-17,21,24-トリエン-12-カルバルデヒド
  • (1R,15R,17E,19R,21Z,24Z,31S)-19-hydroxy-16,30-dioxo-12,29-diazatetracyclo[27.3.1.01,17.015,31]tritriaconta-17,21,24-triene-12-carbaldehyde
Other name (2)：
  • (-)-ハリクロニンA
  • (-)-Haliclonin A
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