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Scutellaprostin E

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

Scutellaprostin E
SpectraBase Compound ID 4tlvaslHb1A
InChI InChI=1S/C25H20O9/c1-31-18-8-13(4-7-15(18)28)24-21(11-26)34-25-20(33-24)10-19-22(23(25)30)16(29)9-17(32-19)12-2-5-14(27)6-3-12/h2-10,21,24,26-28,30H,11H2,1H3/t21-,24-/m0/s1
InChIKey OYFVDHDIURCUPX-URXFXBBRSA-N
Mol Weight 464.43 g/mol
Molecular Formula C25H20O9
Exact Mass 464.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgqFYDCTcjP
Name Scutellaprostin E
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.110732215 u
Formula C25H20O9
InChI InChI=1S/C25H20O9/c1-31-18-8-13(4-7-15(18)28)24-21(11-26)34-25-20(33-24)10-19-22(23(25)30)16(29)9-17(32-19)12-2-5-14(27)6-3-12/h2-10,21,24,26-28,30H,11H2,1H3/t21-,24-/m0/s1
InChIKey OYFVDHDIURCUPX-URXFXBBRSA-N
Molecular Weight 464.426 g/mol
SMILES C12=C(C=3O[C@@](CO)([C@@](OC3C=C2OC(C=2C=CC(=CC2)O)=CC1=O)(C1=CC(OC)=C(C=C1)O)[H])[H])O