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PREUSSOMERIN_D

View entire compound with spectra: 1 NMR, and 2 MS (GC)

PREUSSOMERIN_D
SpectraBase Compound ID 4Wue9nsf3eu
InChI InChI=1S/C20H12O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,16-18,22-23H/t16-,17-,18-,19-,20+/m1/s1
InChIKey PEMPTCPFSPBRLS-WAPOTWQKSA-N
Mol Weight 364.31 g/mol
Molecular Formula C20H12O7
Exact Mass 364.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hd62Akg4ri
Name Preussomerin D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12O7
InChI InChI=1S/C20H12O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,16-18,22-23H/t16-,17-,18-,19-,20+/m1/s1
InChIKey PEMPTCPFSPBRLS-WAPOTWQKSA-N
Molecular Weight 364.309 g/mol
SMILES Oc1ccc2O[C@@]34O[C@]5(c2c1[C@]([C@@]1([C@]5(O1)[H])[H])(O)[H])Oc1cccc(c41)C(=O)C=C3
SPLASH splash10-03dj-0429000000-bfe4ae1b7d2208dce0fe
Source of Spectrum G4-71-955-7
Wiley ID 1694993