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2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-4-{[(2E,7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyl]oxy}naphth-1-yl Acetate
SpectraBase Compound ID 4nbpzzAiPVR
InChI InChI=1S/C53H88O3/c1-39(2)21-15-23-41(5)25-17-27-43(7)29-19-31-45(9)35-36-49-47(11)52(56-48(12)54)50-33-13-14-34-51(50)53(49)55-38-37-46(10)32-20-30-44(8)28-18-26-42(6)24-16-22-40(3)4/h13-14,33-35,37,39-44H,15-32,36,38H2,1-12H3/b45-35+,46-37+/t41-,42-,43-,44-/m1/s1
InChIKey QKQUUSYFCTUVOJ-RJROINJSSA-N
Mol Weight 773.3 g/mol
Molecular Formula C53H88O3
Exact Mass 772.673347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NxB6KaA003
Name 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-4-{[(2E,7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyl]oxy}naphth-1-yl Acetate
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Formula C53H88O3
InChI InChI=1S/C53H88O3/c1-39(2)21-15-23-41(5)25-17-27-43(7)29-19-31-45(9)35-36-49-47(11)52(56-48(12)54)50-33-13-14-34-51(50)53(49)55-38-37-46(10)32-20-30-44(8)28-18-26-42(6)24-16-22-40(3)4/h13-14,33-35,37,39-44H,15-32,36,38H2,1-12H3/b45-35+,46-37+/t41-,42-,43-,44-/m1/s1
InChIKey QKQUUSYFCTUVOJ-RJROINJSSA-N
Molecular Weight 773.284 g/mol
SMILES c1(c(c(C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)c(c2c1cccc2)OC\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)OC(=O)C
SPLASH splash10-0udr-0500900100-03b149d711d12130dec5
Source of Spectrum H-73-1298-28
Synonyms 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-4-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]oxy}-1-naphthyl acetate
Wiley ID 1416759