For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
CHABAMIDE-J
SpectraBase Compound ID 9tqu0pL3pzm
InChI InChI=1S/C28H50N2O2/c1-7-9-11-12-14-16-24-25(27(31)29-19-21(3)4)18-17-23(15-13-10-8-2)26(24)28(32)30-20-22(5)6/h14,16-18,21-26H,7-13,15,19-20H2,1-6H3,(H,29,31)(H,30,32)/b16-14+/t23-,24-,25+,26-/m1/s1
InChIKey OFVMFFSQYHOXJH-HYFIVACQSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H50N2O2
Exact Mass 446.387229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 88ciAj58bw6
Name (1R,2R,3S,6R)-2-((E)-Hept-1-enyl)-6-pentyl-cyclohex-4-ene-1,3-dicarboxylic acid bis-(isobutyl-amide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50N2O2
InChI InChI=1S/C28H50N2O2/c1-7-9-11-12-14-16-24-25(27(31)29-19-21(3)4)18-17-23(15-13-10-8-2)26(24)28(32)30-20-22(5)6/h14,16-18,21-26H,7-13,15,19-20H2,1-6H3,(H,29,31)(H,30,32)/b16-14+/t23-,24-,25+,26-/m1/s1
InChIKey OFVMFFSQYHOXJH-HYFIVACQSA-N
Molecular Weight 446.720 g/mol
SMILES N(C([C@]1([C@@]([C@@](C(NCC(C)C)=O)(C=C[C@]1(CCCCC)[H])[H])(\C=C\CCCCC)[H])[H])=O)CC(C)C
SPLASH splash10-052f-9031100000-3b5a7b8cba51fe948b6f
Source of Spectrum F-67-1891-3
Synonyms Chabamide J (1R,2R,3S,6R)-2-[(E)-hept-1-enyl]-N1,N3-bis(2-methylpropyl)-6-pentylcyclohex-4-ene-1,3-dicarboxamide (1R,2R,3S,6R)-2-[(E)-hept-1-enyl]-1-N,3-N-bis(2-methylpropyl)-6-pentylcyclohex-4-ene-1,3-dicarboxamide (1R,2R,3S,6R)-2-[(E)-hept-1-enyl]-N1,N3-diisobutyl-6-pentyl-cyclohex-4-ene-1,3-dicarboxamide (1R,2R,3S,6R)-2-[(E)-hept-1-enyl]-N1,N3-bis(2-methylpropyl)-6-pentyl-cyclohex-4-ene-1,3-dicarboxamide
Wiley ID 1685883