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4.xi.-Germacr-9-en-12-oic acid, 6.alpha.-hydroxy-1-oxo-, .gamma.-lactone, (11S)-

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

4.xi.-Germacr-9-en-12-oic acid, 6.alpha.-hydroxy-1-oxo-, .gamma.-lactone, (11S)-
SpectraBase Compound ID D0lsADaFpL1
InChI InChI=1S/C15H22O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h5,9,11-12,14H,4,6-8H2,1-3H3/b10-5+
InChIKey YUOIZQYKJGLEKZ-BJMVGYQFSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ei6wg5SN7U6
Name 4.xi.-Germacr-9-en-12-oic acid, 6.alpha.-hydroxy-1-oxo-, .gamma.-lactone, (11S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h5,9,11-12,14H,4,6-8H2,1-3H3/b10-5+
InChIKey YUOIZQYKJGLEKZ-BJMVGYQFSA-N
Molecular Weight 250.338 g/mol
SMILES CC1CCC(=O)\C(C)=C\CC2C(C)C(=O)OC2C1