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(1R,2R,5S)-2-methyl-1-((S)-phenethoxy(phenyl)methyl)-2-(p-tolyl)-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID AGzjclEk7hA
InChI InChI=1S/C28H30O2/c1-21-13-15-24(16-14-21)27(2)28(19-25(28)20-30-27)26(23-11-7-4-8-12-23)29-18-17-22-9-5-3-6-10-22/h3-16,25-26H,17-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
InChIKey GIWSLXWSMKYRQK-JUDWXZBOSA-N
Mol Weight 398.55 g/mol
Molecular Formula C28H30O2
Exact Mass 398.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gq8TxVcG7Q
Name (1R,2R,5S)-2-methyl-1-((S)-phenethoxy(phenyl)methyl)-2-(p-tolyl)-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O2
InChI InChI=1S/C28H30O2/c1-21-13-15-24(16-14-21)27(2)28(19-25(28)20-30-27)26(23-11-7-4-8-12-23)29-18-17-22-9-5-3-6-10-22/h3-16,25-26H,17-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
InChIKey GIWSLXWSMKYRQK-JUDWXZBOSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 398.546 g/mol
SMILES [C@@]1(C)([C@]2([C@](C2)(CO1)[H])[C@](c1ccccc1)(OCCc1ccccc1)[H])c1ccc(cc1)C
SPLASH splash10-0api-1903000000-3f514a7e553c63d2e5b7
Source of Spectrum A1-9-4917/SMS7-2c
Wiley ID 1758843