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(3R*,5R*,6R*,7R*)-3,6,8-Triacetoxy-3,5,7-trimethyl-1-phenyloct-1-yne
SpectraBase Compound ID HElSVbr227t
InChI InChI=1S/C23H30O6/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/h7-11,16-17,22H,14-15H2,1-6H3/t16-,17-,22-,23+/m1/s1
InChIKey AZUJDGQOZYJQCH-UOGRCSNTSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DH8oen5ese
Name (3R*,5R*,6R*,7R*)-3,6,8-Triacetoxy-3,5,7-trimethyl-1-phenyloct-1-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C23H30O6/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/h7-11,16-17,22H,14-15H2,1-6H3/t16-,17-,22-,23+/m1/s1
InChIKey AZUJDGQOZYJQCH-UOGRCSNTSA-N
Molecular Weight 402.487 g/mol
SMILES C(#Cc1ccccc1)[C@@](C[C@]([C@@](OC(=O)C)([C@@](COC(=O)C)(C)[H])[H])(C)[H])(OC(=O)C)C
SPLASH splash10-0a4i-0930000000-383c1863e7cd716ff57c
Source of Spectrum KC-0-2658-0
Synonyms (1R,2R,4R)-4-(acetyloxy)-1-[(1R)-2-(acetyloxy)-1-methylethyl]-2,4-dimethyl-6-phenyl-5-hexynyl acetate
Wiley ID 825934