Chem
J-GLOBAL ID：200907073695325662   Nikkaji number：J2.309.109G

Madangamine B

マダンガミンB
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/h1-2,5,7,9-11,14,17,27-29H,3-4,6,8,12-13,15-16,18-25H2/b2-1-,9-5-,11-7-,14-10+,26-17-/t27-,28-,29+,30+/m1/s1
InChI key： KUMBPXIFTSDSMO-JOSFESDQSA-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\CC/C=C/C5
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,10E)-3,6,10-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,28E)-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-10,13,21,24,28-ペンタエン
  • (1S,2R,4S,10Z,13Z,16S,21Z,24Z,28E)-5,18-diazapentacyclo[16.12.1.11,5.02,16.04,14]dotriaconta-10,13,21,24,28-pentaene
Other name (3)：
  • (3S,4aR,5S,8aS)-5,3,2-[(2Z,5Z)-2,5-Decadiene-1,2,10-triyl]-7,8a-[(3Z,6Z,10E)-3,6,10-dodecatriene-1,12-diyl]decahydro-2,7-naphthyridine
  • マダンガミンB
  • Madangamine B
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