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3'-Acetoxyglyceryl (5R,10R,13R)-labda-8-en-15-oate

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

3'-Acetoxyglyceryl (5R,10R,13R)-labda-8-en-15-oate
SpectraBase Compound ID upYl4a1efd
InChI InChI=1S/C25H42O5/c1-17(14-23(28)30-16-20(27)15-29-19(3)26)8-10-21-18(2)9-11-22-24(4,5)12-7-13-25(21,22)6/h17,20,22,27H,7-16H2,1-6H3
InChIKey BFUQQIDOPSTXTF-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H42O5
Exact Mass 422.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I58f3K6AGsO
Name 3'-Acetoxyglyceryl (5R,10R,13R)-labda-8-en-15-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.303224447 u
Formula C25H42O5
InChI InChI=1S/C25H42O5/c1-17(14-23(28)30-16-20(27)15-29-19(3)26)8-10-21-18(2)9-11-22-24(4,5)12-7-13-25(21,22)6/h17,20,22,27H,7-16H2,1-6H3
InChIKey BFUQQIDOPSTXTF-UHFFFAOYSA-N
Molecular Weight 422.606 g/mol
SMILES C1CCC(C2CCC(=C(C12C)CCC(CC(OCC(COC(C)=O)O)=O)C)C)(C)C