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(1R,2R,5S)-2-(4-bromophenyl)-2-methyl-1-((S)-phenethoxy(phenyl)methyl)-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID CtFp2p8zubt
InChI InChI=1S/C27H27BrO2/c1-26(22-12-14-24(28)15-13-22)27(18-23(27)19-30-26)25(21-10-6-3-7-11-21)29-17-16-20-8-4-2-5-9-20/h2-15,23,25H,16-19H2,1H3/t23-,25+,26-,27-/m1/s1
InChIKey GBNVCSKAXNYYJQ-INVSNAKLSA-N
Mol Weight 463.42 g/mol
Molecular Formula C27H27BrO2
Exact Mass 462.119443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xb4nlIOQvW
Name (1R,2R,5S)-2-(4-bromophenyl)-2-methyl-1-((S)-phenethoxy(phenyl)methyl)-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27BrO2
InChI InChI=1S/C27H27BrO2/c1-26(22-12-14-24(28)15-13-22)27(18-23(27)19-30-26)25(21-10-6-3-7-11-21)29-17-16-20-8-4-2-5-9-20/h2-15,23,25H,16-19H2,1H3/t23-,25+,26-,27-/m1/s1
InChIKey GBNVCSKAXNYYJQ-INVSNAKLSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 463.415 g/mol
SMILES [C@@]1(C)([C@]2([C@](C2)(CO1)[H])[C@](c1ccccc1)(OCCc1ccccc1)[H])c1ccc(cc1)Br
SPLASH splash10-0a4i-0900200000-64e0731af18f64e84bf0
Source of Spectrum A1-9-4917/SMS12-2e
Wiley ID 1758845