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Scutellaprostin A

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

Scutellaprostin A
SpectraBase Compound ID FWnA9Y49NLS
InChI InChI=1S/C25H20O8/c1-30-19-9-14(7-8-15(19)27)23-21(12-26)33-24-20(32-23)11-17(29)22-16(28)10-18(31-25(22)24)13-5-3-2-4-6-13/h2-11,21,23,26-27,29H,12H2,1H3/t21-,23-/m1/s1
InChIKey FECLWLKPCOCFKF-FYYLOGMGSA-N
Mol Weight 448.43 g/mol
Molecular Formula C25H20O8
Exact Mass 448.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9r3FeSpQgvo
Name Scutellaprostin A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.115817596 u
Formula C25H20O8
InChI InChI=1S/C25H20O8/c1-30-19-9-14(7-8-15(19)27)23-21(12-26)33-24-20(32-23)11-17(29)22-16(28)10-18(31-25(22)24)13-5-3-2-4-6-13/h2-11,21,23,26-27,29H,12H2,1H3/t21-,23-/m1/s1
InChIKey FECLWLKPCOCFKF-FYYLOGMGSA-N
Molecular Weight 448.427 g/mol
SMILES C=12C(C(=O)C=C(O2)C=2C=CC=CC2)=C(O)C=C2C1O[C@](CO)([C@](O2)(C1=CC(OC)=C(C=C1)O)[H])[H]