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3,4-Dihydro-2-methyl-4-oxo-3,3-bis[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphth-1-yl Acetate
SpectraBase Compound ID DMwoIaXOBuQ
InChI InChI=1S/C53H88O3/c1-39(2)21-15-23-41(5)25-17-27-43(7)29-19-31-45(9)35-37-53(47(11)51(56-48(12)54)49-33-13-14-34-50(49)52(53)55)38-36-46(10)32-20-30-44(8)28-18-26-42(6)24-16-22-40(3)4/h13-14,33-36,39-44H,15-32,37-38H2,1-12H3/b45-35+,46-36+/t41-,42-,43-,44-/m1/s1
InChIKey NYRJWNTVHMFRAS-GEOOBYMFSA-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 KDNzjJisXZw
Name 3,4-Dihydro-2-methyl-4-oxo-3,3-bis[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphth-1-yl Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H88O3
InChI InChI=1S/C53H88O3/c1-39(2)21-15-23-41(5)25-17-27-43(7)29-19-31-45(9)35-37-53(47(11)51(56-48(12)54)49-33-13-14-34-50(49)52(53)55)38-36-46(10)32-20-30-44(8)28-18-26-42(6)24-16-22-40(3)4/h13-14,33-36,39-44H,15-32,37-38H2,1-12H3/b45-35+,46-36+/t41-,42-,43-,44-/m1/s1
InChIKey NYRJWNTVHMFRAS-GEOOBYMFSA-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\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C(c2c1cccc2)=O)C)OC(=O)C
SPLASH splash10-0udi-0200900000-7f8be88a5c5f64458cbf
Source of Spectrum H-73-1298-30
Synonyms 2-Methyl-4-oxo-3,3-bis[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-3,4-dihydro-1-naphthalenyl acetate
Wiley ID 1416760