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.alpha.-Santalyl palmitate

View entire compound with spectra: 1 NMR, and 1 FTIR

.alpha.-Santalyl palmitate
SpectraBase Compound ID GsAYVYwaOzJ
InChI InChI=1S/C31H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(32)33-24-25(2)19-18-21-30(3)26-22-27-28(23-26)31(27,30)4/h19,26-28H,5-18,20-24H2,1-4H3/b25-19-/t26-,27+,28-,30?,31+
InChIKey SRRYTVSXNPQVNE-VYLCMNPLSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H54O2
Exact Mass 458.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Af6H3XTaxM
Name .alpha.-Santalyl palmitate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.412380977 u
Formula C31H54O2
InChI InChI=1S/C31H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(32)33-24-25(2)19-18-21-30(3)26-22-27-28(23-26)31(27,30)4/h19,26-28H,5-18,20-24H2,1-4H3/b25-19-/t26-,27+,28-,30?,31+
InChIKey SRRYTVSXNPQVNE-VYLCMNPLSA-N
Molecular Weight 458.771 g/mol
SMILES [C@@]12(C[C@]3(C([C@@]2([C@@]1(C3)[H])C)(CC\C=C\(C)COC(=O)CCCCCCCCCCCCCCC)C)[H])[H]