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Prelupulone

View entire compound with spectra: 1 NMR

Prelupulone
SpectraBase Compound ID 1l1HWyJ1sUX
InChI InChI=1S/C27H40O4/c1-17(2)9-11-21-24(29)23(22(28)12-10-18(3)4)26(31)27(25(21)30,15-13-19(5)6)16-14-20(7)8/h9,13-14,18,29-30H,10-12,15-16H2,1-8H3
InChIKey MTFYJZKXBWRLJA-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPWoawjhS4U
Name Prelupulone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.292659764 u
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-17(2)9-11-21-24(29)23(22(28)12-10-18(3)4)26(31)27(25(21)30,15-13-19(5)6)16-14-20(7)8/h9,13-14,18,29-30H,10-12,15-16H2,1-8H3
InChIKey MTFYJZKXBWRLJA-UHFFFAOYSA-N
Molecular Weight 428.613 g/mol
SMILES C=1(O)C(=C(O)C(CC=C(C)C)(C(C1C(=O)CCC(C)C)=O)CC=C(C)C)CC=C(C)C