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(1R,2R,5S)-2-(4-methoxyphenyl)-2-methyl-1-((R)-phenethoxy(phenyl)methyl)-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID 3XRP89Guh7c
InChI InChI=1S/C28H30O3/c1-27(23-13-15-25(29-2)16-14-23)28(19-24(28)20-31-27)26(22-11-7-4-8-12-22)30-18-17-21-9-5-3-6-10-21/h3-16,24,26H,17-20H2,1-2H3/t24-,26-,27-,28-/m1/s1
InChIKey RJLIWXDUIADZCZ-YULOIDQLSA-N
Mol Weight 414.55 g/mol
Molecular Formula C28H30O3
Exact Mass 414.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pI1OhfksHo
Name (1R,2R,5S)-2-(4-methoxyphenyl)-2-methyl-1-((R)-phenethoxy(phenyl)methyl)-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O3
InChI InChI=1S/C28H30O3/c1-27(23-13-15-25(29-2)16-14-23)28(19-24(28)20-31-27)26(22-11-7-4-8-12-22)30-18-17-21-9-5-3-6-10-21/h3-16,24,26H,17-20H2,1-2H3/t24-,26-,27-,28-/m1/s1
InChIKey RJLIWXDUIADZCZ-YULOIDQLSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 414.545 g/mol
SMILES [C@@]1(C)([C@]2([C@](C2)(CO1)[H])[C@@](c1ccccc1)(OCCc1ccccc1)[H])c1ccc(cc1)OC
SPLASH splash10-0a4s-1903100000-65759fb8de13be591504
Source of Spectrum A1-9-4917/SMS22-3h
Wiley ID 1758859