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(1R,2R,5S)-2-(4-methoxyphenyl)-1-((S)-(4-methoxyphenyl)(phenethoxy)methyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID E3ZsLvimoE6
InChI InChI=1S/C29H32O4/c1-28(23-11-15-26(31-3)16-12-23)29(19-24(29)20-33-28)27(22-9-13-25(30-2)14-10-22)32-18-17-21-7-5-4-6-8-21/h4-16,24,27H,17-20H2,1-3H3/t24-,27+,28-,29-/m1/s1
InChIKey IZGIYEDAQTWZHA-AKJWSFQKSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H32O4
Exact Mass 444.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LllUUYFbCIN
Name (1R,2R,5S)-2-(4-methoxyphenyl)-1-((S)-(4-methoxyphenyl)(phenethoxy)methyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O4
InChI InChI=1S/C29H32O4/c1-28(23-11-15-26(31-3)16-12-23)29(19-24(29)20-33-28)27(22-9-13-25(30-2)14-10-22)32-18-17-21-7-5-4-6-8-21/h4-16,24,27H,17-20H2,1-3H3/t24-,27+,28-,29-/m1/s1
InChIKey IZGIYEDAQTWZHA-AKJWSFQKSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 444.571 g/mol
SMILES [C@@]1([C@]2([C@](C2)(CO1)[H])[C@](c1ccc(cc1)OC)(OCCc1ccccc1)[H])(c1ccc(OC)cc1)C
SPLASH splash10-0a70-0900300000-95041a9271a3bffe4a3a
Source of Spectrum A1-9-4917/SMS31-2l
Wiley ID 1758850