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

SpectraBase Compound ID	72pAwSLfNsQ
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-NHMNHLDDSA-N Google Search
Mol Weight	448.99 g/mol
Molecular Formula	C28H29ClO3
Exact Mass	448.180522 g/mol

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SpectraBase Spectrum ID	4ATQjpb0cu4
Name	(1R,2R,5S)-1-((R)-(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-NHMNHLDDSA-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-d951070fe02c1a61dccf
Source of Spectrum	A1-9-4917/SMS24-3i
Synonyms	(1R,2R,5S)-1-[(R)-(4-chlorophenyl)-(2-phenylethoxy)methyl]-2-(4-methoxyphenyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
Wiley ID	1758860