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(1R,2R,5S)-1-((S)-(4-bromophenyl)(phenethoxy)methyl)-2-(4-methoxyphenyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID J5WdTVCRQOl
InChI InChI=1S/C28H29BrO3/c1-27(22-10-14-25(30-2)15-11-22)28(18-23(28)19-32-27)26(21-8-12-24(29)13-9-21)31-17-16-20-6-4-3-5-7-20/h3-15,23,26H,16-19H2,1-2H3/t23-,26+,27-,28-/m1/s1
InChIKey SMSBERCGROFSFI-WIABGLAMSA-N
Mol Weight 493.44 g/mol
Molecular Formula C28H29BrO3
Exact Mass 492.130008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aoslhBFgS5
Name (1R,2R,5S)-1-((S)-(4-bromophenyl)(phenethoxy)methyl)-2-(4-methoxyphenyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29BrO3
InChI InChI=1S/C28H29BrO3/c1-27(22-10-14-25(30-2)15-11-22)28(18-23(28)19-32-27)26(21-8-12-24(29)13-9-21)31-17-16-20-6-4-3-5-7-20/h3-15,23,26H,16-19H2,1-2H3/t23-,26+,27-,28-/m1/s1
InChIKey SMSBERCGROFSFI-WIABGLAMSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 493.441 g/mol
SMILES [C@@]1([C@]2([C@](C2)(CO1)[H])[C@](c1ccc(cc1)Br)(OCCc1ccccc1)[H])(c1ccc(cc1)OC)C
SPLASH splash10-0a73-0900400000-3df570d2a60a3a50f677
Source of Spectrum A1-9-4917/SMS26-2j
Wiley ID 1758848