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4-Acetoxy-2-methyl-3-phytyl-1-naphthalenol

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

4-Acetoxy-2-methyl-3-phytyl-1-naphthalenol
SpectraBase Compound ID 8C8zABj3ADa
InChI InChI=1S/C33H50O3/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)21-22-29-27(6)32(35)30-19-8-9-20-31(30)33(29)36-28(7)34/h8-9,19-21,23-25,35H,10-18,22H2,1-7H3/b26-21+
InChIKey GDYRZEOGGPHQAH-YYADALCUSA-N
Mol Weight 494.8 g/mol
Molecular Formula C33H50O3
Exact Mass 494.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCmCBxK4Xfl
Name 4-Acetoxy-2-methyl-3-phytyl-1-naphthalenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.375995467 u
Formula C33H50O3
InChI InChI=1S/C33H50O3/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)21-22-29-27(6)32(35)30-19-8-9-20-31(30)33(29)36-28(7)34/h8-9,19-21,23-25,35H,10-18,22H2,1-7H3/b26-21+
InChIKey GDYRZEOGGPHQAH-YYADALCUSA-N
Molecular Weight 494.760 g/mol
SMILES C=1(C(=C(C)C(=C2C1C=CC=C2)O)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)OC(=O)C