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

View entire compound with spectra: 1 MS (GC)

(1R,2R,5S)-1-((S)-(4-chlorophenyl)(phenethoxy)methyl)-2-(4-methoxyphenyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID 9EFkfcyNRm0
InChI InChI=1S/C28H29ClO3/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 ZGFMLYCBGSVEAE-WIABGLAMSA-N
Mol Weight 448.99 g/mol
Molecular Formula C28H29ClO3
Exact Mass 448.180522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xIGZTSLwG
Name (1R,2R,5S)-1-((S)-(4-chlorophenyl)(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 C28H29ClO3
InChI InChI=1S/C28H29ClO3/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 ZGFMLYCBGSVEAE-WIABGLAMSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 448.990 g/mol
SMILES [C@@]1([C@]2([C@](C2)(CO1)[H])[C@](c1ccc(cc1)Cl)(OCCc1ccccc1)[H])(c1ccc(cc1)OC)C
SPLASH splash10-053i-0900400000-ce974e36e30a5e6c913d
Source of Spectrum A1-9-4917/SMS23-2i
Synonyms (1R,2R,5S)-1-[(S)-(4-chlorophenyl)-(2-phenylethoxy)methyl]-2-(4-methoxyphenyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
Wiley ID 1758847