Chem
J-GLOBAL ID：200907026145222558   Nikkaji number：J17.444K

Codonocarpine

コドノカルピン
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： C26H31N3O5
Molecular formula furigana： C26-H31-N3-O5
Molecular weight： 465.550
InChI： InChI=1S/C26H31N3O5/c1-33-24-18-20-6-10-22(24)34-23-17-19(5-9-21(23)30)7-11-26(32)29-16-4-14-27-13-2-3-15-28-25(31)12-8-20/h5-12,17-18,27,30H,2-4,13-16H2,1H3,(H,28,31)(H,29,32)/b11-7-,12-8-
InChI key： FLRXCRYRYZPGPB-OXAWKVHCSA-N
SMILES： COc1cc2ccc1Oc1cc(ccc1O)/C=C\C(=O)NCCCNCCCCNC(=O)/C=C\2
Systematic name  (3)：
  • (8E,22E)-4-ヒドロキシ-26-メトキシ-2-オキサ-11,15,20-トリアザトリシクロ[22.2.2.13,7]ノナコサ-1(26),3,5,7(29),8,22,24,27-オクタエン-10,21-ジオン
  • (8Z,22Z)-4-ヒドロキシ-27-メトキシ-2-オキサ-11,15,20-トリアザトリシクロ[22.2.2.13,7]ノナコサ-1(26),3(29),4,6,8,22,24,27-オクタエン-10,21-ジオン
  • (8Z,22Z)-4-hydroxy-27-methoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3(29),4,6,8,22,24,27-octaene-10,21-dione
Other name (3)：
  • コドノカルピン
  • Codonocarpine
  • (8E,22E)-4-Hydroxy-26-methoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octene-10,21-dione
CAS registry number： 33442-48-7
KEGG COMPOUND： C10582
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