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Paratocarpin G

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

Paratocarpin G
SpectraBase Compound ID Do3ewc8VVl4
InChI InChI=1S/C25H28O6/c1-14(2)5-8-16-20(27)11-9-17(22(16)28)19(26)10-6-15-7-12-21-18(13-15)23(29)24(31-21)25(3,4)30/h5-7,9-13,23-24,27-30H,8H2,1-4H3/b10-6+
InChIKey JNJNAVYFPDNHIC-UXBLZVDNSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJEDx0u9t7
Name Paratocarpin G
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-14(2)5-8-16-20(27)11-9-17(22(16)28)19(26)10-6-15-7-12-21-18(13-15)23(29)24(31-21)25(3,4)30/h5-7,9-13,23-24,27-30H,8H2,1-4H3/b10-6+
InChIKey JNJNAVYFPDNHIC-UXBLZVDNSA-N
Molecular Weight 424.493 g/mol
SMILES Oc1c(c(c(C(\C=C\c2cc3C(C(Oc3cc2)C(O)(C)C)O)=O)cc1)O)CC=C(C)C
SPLASH splash10-052b-0935100000-718c353a1ce55cbcaa8e
Source of Spectrum H1-41-2323-2
Wiley ID 757415