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13-Methyl-3,7-dioxopodocarpa-8,11,13-triene-12-carboxylic acid

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13-Methyl-3,7-dioxopodocarpa-8,11,13-triene-12-carboxylic acid
SpectraBase Compound ID D8pYRBhGYEn
InChI InChI=1S/C19H22O4/c1-10-7-12-13(8-11(10)17(22)23)19(4)6-5-16(21)18(2,3)15(19)9-14(12)20/h7-8,15H,5-6,9H2,1-4H3,(H,22,23)/t15?,19-/m1/s1
InChIKey WRYXIZJRAKUGEP-XCWJXAQQSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SHWFzvrzk7
Name 13-Methyl-3,7-dioxopodocarpa-8,11,13-triene-12-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.151809184 u
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-10-7-12-13(8-11(10)17(22)23)19(4)6-5-16(21)18(2,3)15(19)9-14(12)20/h7-8,15H,5-6,9H2,1-4H3,(H,22,23)/t15?,19-/m1/s1
InChIKey WRYXIZJRAKUGEP-XCWJXAQQSA-N
Molecular Weight 314.381 g/mol
SMILES [C@]12(C3=C(C=C(C(=C3)C(=O)O)C)C(CC1C(C)(C)C(CC2)=O)=O)C