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(E,2R,3R,6S)-7-methoxy-2-[(4-methoxyphenyl)thio]-4,6-dimethyl-3-phenethyl-hept-4-en-1-ol
SpectraBase Compound ID FZI4gUbXdx1
InChI InChI=1S/C25H34O3S/c1-19(18-27-3)16-20(2)24(15-10-21-8-6-5-7-9-21)25(17-26)29-23-13-11-22(28-4)12-14-23/h5-9,11-14,16,19,24-26H,10,15,17-18H2,1-4H3/b20-16+/t19-,24+,25-/m0/s1
InChIKey RJXIIONMYHUQNA-VLQBDZGASA-N
Mol Weight 414.6 g/mol
Molecular Formula C25H34O3S
Exact Mass 414.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFzpllHQ2m8
Name (E,2R,3R,6S)-7-methoxy-2-[(4-methoxyphenyl)thio]-4,6-dimethyl-3-phenethyl-hept-4-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O3S
InChI InChI=1S/C25H34O3S/c1-19(18-27-3)16-20(2)24(15-10-21-8-6-5-7-9-21)25(17-26)29-23-13-11-22(28-4)12-14-23/h5-9,11-14,16,19,24-26H,10,15,17-18H2,1-4H3/b20-16+/t19-,24+,25-/m0/s1
InChIKey RJXIIONMYHUQNA-VLQBDZGASA-N
Molecular Weight 414.604 g/mol
SMILES OC[C@](Sc1ccc(cc1)OC)([C@@](\C(=C\[C@@](COC)(C)[H])C)(CCc1ccccc1)[H])[H]
SPLASH splash10-0006-9400000000-080b77b6603bca97a23d
Source of Spectrum KC-0-375-68
Synonyms (E,2R,3R,6S)-7-methoxy-2-[(4-methoxyphenyl)thio]-4,6-dimethyl-3-(2-phenylethyl)-4-hepten-1-ol
Wiley ID 785026