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(1E,3R*,5S*,6S*,7S*)-3,6,8-Triacetoxy-3,5,7-trimethyl-1-phenyloct-1-ene
SpectraBase Compound ID 3OFgmIrkT2p
InChI InChI=1S/C23H32O6/c1-16(22(28-19(4)25)17(2)15-27-18(3)24)14-23(6,29-20(5)26)13-12-21-10-8-7-9-11-21/h7-13,16-17,22H,14-15H2,1-6H3/b13-12+/t16-,17-,22-,23+/m0/s1
InChIKey OZAPYSVQNRYXNX-LPIAOXITSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aNe5b4DBI
Name (1E,3R*,5S*,6S*,7S*)-3,6,8-Triacetoxy-3,5,7-trimethyl-1-phenyloct-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-16(22(28-19(4)25)17(2)15-27-18(3)24)14-23(6,29-20(5)26)13-12-21-10-8-7-9-11-21/h7-13,16-17,22H,14-15H2,1-6H3/b13-12+/t16-,17-,22-,23+/m0/s1
InChIKey OZAPYSVQNRYXNX-LPIAOXITSA-N
Molecular Weight 404.503 g/mol
SMILES [C@@](OC(=O)C)([C@](C[C@@](\C=C\c1ccccc1)(OC(=O)C)C)(C)[H])([C@](COC(=O)C)(C)[H])[H]
SPLASH splash10-00ed-3940000000-2cf1b2d8c0aea015443b
Source of Spectrum KC-0-2658-25
Synonyms (1E,3R*,5R*,6R*,7R*)-3,6,8-Triacetoxy-3,5,7-trimethyl-1-phenyloct-1-ene (1S,2S,4S,5E)-4-(acetyloxy)-1-[(1S)-2-(acetyloxy)-1-methylethyl]-2,4-dimethyl-6-phenyl-5-hexenyl acetate
Wiley ID 825933