Chem
J-GLOBAL ID：200907085641576218   Nikkaji number：J1.473.312D

Madangamine A

マダンガミン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： C30H44N2
Molecular formula furigana： C30-H44-N2
Molecular weight： 432.696
InChI： InChI=1S/C30H44N2/c1-2-4-7-11-15-19-31-23-27-21-26-17-13-9-5-8-12-16-20-32-25-30(24-31,18-14-10-6-3-1)28(27)22-29(26)32/h1-2,5-7,9-11,17,27-29H,3-4,8,12-16,18-25H2/b2-1-,9-5-,10-6-,11-7-,26-17-/t27-,28-,29+,30+/m1/s1
InChI key： CKIBGMLEHSJFPK-XEONOACMSA-N
SMILES： C1[C@@H]2N3C[C@]45CN(C[C@@H](C/C/2=C/C/C=C\CCCC3)[C@@H]14)CC/C=C\C/C=C\C/C=C\CC5
Systematic name  (3)：
  • (3S,4aR,5S,8aS)-5,3,2-[(2Z,5Z)-2,5-デカジエン-1,2,10-トリイル]-7,8a-[(3Z,6Z,9Z)-3,6,9-ドデカトリエン-1,12-ジイル]デカヒドロ-2,7-ナフチリジン
  • (1S,2R,4S,10Z,13Z,16S,21Z,24Z,27Z)-5,18-ジアザペンタシクロ[16.12.1.11,5.02,16.04,14]ドトリアコンタ-10,13,21,24,27-ペンタエン
  • (1S,2R,4S,10Z,13Z,16S,21Z,24Z,27Z)-5,18-diazapentacyclo[16.12.1.11,5.02,16.04,14]dotriaconta-10,13,21,24,27-pentaene
Other name (3)：
  • (3S,4aR,5S,8aS)-5,3,2-[(2Z,5Z)-2,5-Decadiene-1,2,10-triyl]-7,8a-[(3Z,6Z,9Z)-3,6,9-dodecatriene-1,12-diyl]decahydro-2,7-naphthyridine
  • マダンガミンA
  • Madangamine A
CAS registry number： 155944-26-6
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