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Axinellamine B ( 2,2-Bis[2,2'-((E,E)-6-methyl-2,4-octadienyl)pyrrol-5-yl]propane )
SpectraBase Compound ID Cbc5rA5t2jK
InChI InChI=1S/C29H42N2/c1-7-23(3)15-11-9-13-17-25-19-21-27(30-25)29(5,6)28-22-20-26(31-28)18-14-10-12-16-24(4)8-2/h9-16,19-24,30-31H,7-8,17-18H2,1-6H3/b13-9+,14-10+,15-11+,16-12+
InChIKey AFEISJXZWHBJNX-KUWVSJDVSA-N
Mol Weight 418.7 g/mol
Molecular Formula C29H42N2
Exact Mass 418.334799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hCXvM7MUS
Name Axinellamine B ( 2,2-Bis[2,2'-((E,E)-6-methyl-2,4-octadienyl)pyrrol-5-yl]propane )
Alternate Name(s) 2-[(2E,4E)-6-methylocta-2,4-dienyl]-5-[2-[5-[(2E,4E)-6-methylocta-2,4-dienyl]-1H-pyrrol-2-yl]propan-2-yl]-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42N2
InChI InChI=1S/C29H42N2/c1-7-23(3)15-11-9-13-17-25-19-21-27(30-25)29(5,6)28-22-20-26(31-28)18-14-10-12-16-24(4)8-2/h9-16,19-24,30-31H,7-8,17-18H2,1-6H3/b13-9+,14-10+,15-11+,16-12+
InChIKey AFEISJXZWHBJNX-KUWVSJDVSA-N
Molecular Weight 418.669 g/mol
SMILES [nH]1c(ccc1C(c1[nH]c(cc1)C\C=C\C=C\C(CC)C)(C)C)C\C=C\C=C\C(CC)C
SPLASH splash10-0zna-8630900000-24a4bbb73b39a2848873
Source of Spectrum H1-48-1464-3
Wiley ID 816568