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6-Desmethyldesmodian A

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

6-Desmethyldesmodian A
SpectraBase Compound ID 8kbbmnaoB1Y
InChI InChI=1S/C26H28O5/c1-25(2)11-9-18-22(30-25)13-21(28-5)19-12-15(14-29-23(18)19)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-11,13,15,27H,12,14H2,1-5H3
InChIKey TXLYFPIMCNBCFX-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C26H28O5
Exact Mass 420.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWnZfGH1wvY
Name 6-Desmethyldesmodian A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.193673997 u
Formula C26H28O5
InChI InChI=1S/C26H28O5/c1-25(2)11-9-18-22(30-25)13-21(28-5)19-12-15(14-29-23(18)19)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-11,13,15,27H,12,14H2,1-5H3
InChIKey TXLYFPIMCNBCFX-UHFFFAOYSA-N
Molecular Weight 420.505 g/mol
SMILES C12=C(C=CC(O2)(C)C)C(O)=CC=C1C1CC2=C(C=C3C(=C2OC1)C=CC(C)(C)O3)OC