Chem
J-GLOBAL ID：200907048446508264   Nikkaji number：J2.309.110K

Madangamine C

マダンガミン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： C28H44N2
Molecular formula furigana： C28-H44-N2
Molecular weight： 408.674
InChI： InChI=1S/C28H44N2/c1-2-5-9-13-17-29-21-25-19-24-15-11-7-3-6-10-14-18-30-23-28(22-29,16-12-8-4-1)26(25)20-27(24)30/h3-4,7-8,15,25-27H,1-2,5-6,9-14,16-23H2/b7-3-,8-4-,24-15-/t25-,26-,27+,28+/m1/s1
InChI key： UOGKYFKQLXZXCD-URFBTUNOSA-N
SMILES： C1[C@@H]2N3C[C@]45CN(C[C@@H](C/C/2=C/C/C=C\CCCC3)[C@@H]14)CCCCCC/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-[(Z)-7-デセン-1,10-ジイル]デカヒドロ-2,7-ナフチリジン
  • (1S,2R,4S,10Z,13Z,16S,25Z)-5,18-ジアザペンタシクロ[16.10.1.11,5.02,16.04,14]トリアコンタ-10,13,25-トリエン
  • (1S,2R,4S,10Z,13Z,16S,25Z)-5,18-diazapentacyclo[16.10.1.11,5.02,16.04,14]triaconta-10,13,25-triene
Other name (3)：
  • (3S,4aR,5S,8aS)-5,3,2-[(2Z,5Z)-2,5-Decadiene-1,2,10-triyl]-7,8a-[(Z)-7-decene-1,10-diyl]decahydro-2,7-naphthyridine
  • マダンガミンC
  • Madangamine C
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