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(2S,4E,6S,7R,8R)-8-Benzyloxy-1-(methoxymethoxy)-7-phenylthio-2,4,6-trimethylnon-4-ene
SpectraBase Compound ID 2lcLEJgQ1N8
InChI InChI=1S/C27H38O3S/c1-21(16-22(2)18-29-20-28-5)17-23(3)27(31-26-14-10-7-11-15-26)24(4)30-19-25-12-8-6-9-13-25/h6-15,17,22-24,27H,16,18-20H2,1-5H3/b21-17+/t22-,23-,24+,27+/m0/s1
InChIKey ZXODCTIPQNLUPK-ZLAFCXDGSA-N
Mol Weight 442.7 g/mol
Molecular Formula C27H38O3S
Exact Mass 442.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hfxk7D4p861
Name (2S,4E,6S,7R,8R)-8-Benzyloxy-1-(methoxymethoxy)-7-phenylthio-2,4,6-trimethylnon-4-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3S
InChI InChI=1S/C27H38O3S/c1-21(16-22(2)18-29-20-28-5)17-23(3)27(31-26-14-10-7-11-15-26)24(4)30-19-25-12-8-6-9-13-25/h6-15,17,22-24,27H,16,18-20H2,1-5H3/b21-17+/t22-,23-,24+,27+/m0/s1
InChIKey ZXODCTIPQNLUPK-ZLAFCXDGSA-N
Molecular Weight 442.658 g/mol
SMILES [C@@](\C=C\(C[C@@](COCOC)(C)[H])C)([C@@](Sc1ccccc1)([C@](OCc1ccccc1)(C)[H])[H])(C)[H]
SPLASH splash10-0006-9000000000-e2f61fc2c159233a0ef1
Source of Spectrum SO-0-204-31
Synonyms {[(1R,2S,3E,6S)-1-[(1R)-1-(benzyloxy)ethyl]-7-(methoxymethoxy)-2,4,6-trimethyl-3-heptenyl]sulfanyl}benzene
Wiley ID 872967