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Madangamine D
SpectraBase Compound ID D1oxTOxXLWe
InChI InChI=1S/C29H48N2/c1-2-5-9-13-17-29-23-30(18-14-10-6-3-1)22-26-20-25-16-12-8-4-7-11-15-19-31(24-29)28(25)21-27(26)29/h4,8,16,26-28H,1-3,5-7,9-15,17-24H2/b8-4-,25-16-/t26-,27-,28+,29-/m1/s1
InChIKey AXZOZMSDLYMXPA-RXYVIUDFSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H48N2
Exact Mass 424.38175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QkBW3tm6Lo
Name Madangamine D
Comments Less than 3 mono-isotopic peaks
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Formula C29H48N2
InChI InChI=1S/C29H48N2/c1-2-5-9-13-17-29-23-30(18-14-10-6-3-1)22-26-20-25-16-12-8-4-7-11-15-19-31(24-29)28(25)21-27(26)29/h4,8,16,26-28H,1-3,5-7,9-15,17-24H2/b8-4-,25-16-/t26-,27-,28+,29-/m1/s1
InChIKey AXZOZMSDLYMXPA-RXYVIUDFSA-N
Molecular Weight 424.717 g/mol
SMILES [C@@]123[C@]4([C@@](C\C=5[C@](N(C3)CCCC\C=C/CC/5)([H])C4)([H])CN(C2)CCCCCCCCCCC1)[H]
SPLASH splash10-03di-0000900000-a99d3d74791ec359d148
Source of Spectrum G4-61-270-5
Synonyms (1R,2R,4S,16S)-5,18-diazapentacyclo[16.11.1.1(1,5).0(2,16).0(4,14)]hentriaconta-10,13-diene
Wiley ID 1607103