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(1S,2S,5R)-2-(4-methoxyphenyl)-2-methyl-1-((S)-phenethoxy(p-tolyl)methyl)-3-oxabicyclo[3.1.0]hexane

View entire compound with spectra: 1 MS (GC)

(1S,2S,5R)-2-(4-methoxyphenyl)-2-methyl-1-((S)-phenethoxy(p-tolyl)methyl)-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID nWZ58JTBFT
InChI InChI=1S/C29H32O3/c1-21-9-11-23(12-10-21)27(31-18-17-22-7-5-4-6-8-22)29-19-25(29)20-32-28(29,2)24-13-15-26(30-3)16-14-24/h4-16,25,27H,17-20H2,1-3H3/t25-,27-,28-,29-/m0/s1
InChIKey PWKJVFMSAVSYIE-AMEOFWRWSA-N
Mol Weight 428.6 g/mol
Molecular Formula C29H32O3
Exact Mass 428.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70f4XnvqoD0
Name (1S,2S,5R)-2-(4-methoxyphenyl)-2-methyl-1-((S)-phenethoxy(p-tolyl)methyl)-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O3
InChI InChI=1S/C29H32O3/c1-21-9-11-23(12-10-21)27(31-18-17-22-7-5-4-6-8-22)29-19-25(29)20-32-28(29,2)24-13-15-26(30-3)16-14-24/h4-16,25,27H,17-20H2,1-3H3/t25-,27-,28-,29-/m0/s1
InChIKey PWKJVFMSAVSYIE-AMEOFWRWSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 428.572 g/mol
SMILES [C@]1([C@@]2([C@](C2)([H])CO1)[C@](c1ccc(cc1)C)(OCCc1ccccc1)[H])(c1ccc(OC)cc1)C
SPLASH splash10-0bti-0900400000-8241ee8edd2be120ef82
Source of Spectrum A1-9-4917/SMS30-3k
Wiley ID 1758862