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Belamcandaquinone A

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Belamcandaquinone A
SpectraBase Compound ID CfsBFtzl6GJ
InChI InChI=1S/C44H68O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-33-38(45)43(40(34-36)48-3)42-37(44(47)41(49-4)35-39(42)46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h11-14,33-35,45H,5-10,15-32H2,1-4H3/b13-11+,14-12+
InChIKey SPXZFBKTIJJXLL-PHEQNACWSA-N
Mol Weight 677.0 g/mol
Molecular Formula C44H68O5
Exact Mass 676.506675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kv87g5l7dH7
Name Belamcandaquinone A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 676.506675285 u
Formula C44H68O5
InChI InChI=1S/C44H68O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-33-38(45)43(40(34-36)48-3)42-37(44(47)41(49-4)35-39(42)46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h11-14,33-35,45H,5-10,15-32H2,1-4H3/b13-11+,14-12+
InChIKey SPXZFBKTIJJXLL-PHEQNACWSA-N
SMILES C1(=C(C(C(OC)=CC1=O)=O)CCCCCCCCC\C=C\CCCC)C=1C(=CC(=CC1OC)CCCCCCCCC\C=C\CCCC)O