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Haliclonacyclamine D
SpectraBase Compound ID IN5tP9VvIjV
InChI InChI=1S/C32H58N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h1,3,29-32H,2,4-28H2/b3-1-/t29-,30+,31+,32-/m0/s1
InChIKey PLMIPOINASKRQP-KEMBSHKJSA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H58N2
Exact Mass 470.46 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50QVXjvT0QN
Name Haliclonacyclamine D
Alternate Name(s) Bismethiodide of haliclonacyclamine B (12S,14S,29S,30S)-1,16-diazatetracyclo[27.3.1.1(12,16).0(14,30)]tetratriacont-23-ene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H58N2
InChI InChI=1S/C32H58N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h1,3,29-32H,2,4-28H2/b3-1-/t29-,30+,31+,32-/m0/s1
InChIKey PLMIPOINASKRQP-KEMBSHKJSA-N
Molecular Weight 470.830 g/mol
SMILES [C@@]12([C@@]3([C@]4(CN(CC3)CCCCCCCCCC[C@](CN(C1)CCCCCC\C=C/CCCC4)(C2)[H])[H])[H])[H]
SPLASH splash10-00di-0000900000-8094f0a89c33042a9c09
Source of Spectrum F-54-8822-4
Wiley ID 807965