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4-Hydroxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphth-1-yl Acetate
SpectraBase Compound ID cLFFCB7d3
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)33(36-28(7)34)31-20-9-8-19-30(31)32(29)35/h8-9,19-21,23-25,35H,10-18,22H2,1-7H3/b26-21+/t24-,25-/m1/s1
InChIKey SHKSHVHAEZZSCS-LDKDYMQTSA-N
Mol Weight 494.8 g/mol
Molecular Formula C33H50O3
Exact Mass 494.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbQo73v61T3
Name 4-Hydroxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphth-1-yl Acetate
Alternate Name(s) 4-Hydroxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-1-naphthyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)33(36-28(7)34)31-20-9-8-19-30(31)32(29)35/h8-9,19-21,23-25,35H,10-18,22H2,1-7H3/b26-21+/t24-,25-/m1/s1
InChIKey SHKSHVHAEZZSCS-LDKDYMQTSA-N
Molecular Weight 494.760 g/mol
SMILES Oc1c2c(c(c(c1C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)OC(=O)C)cccc2
SPLASH splash10-0udr-0600900000-7115b1b3251441c309c2
Source of Spectrum H-73-1298-27
Wiley ID 1398004