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(1R,2R,5S)-2-(4-methoxyphenyl)-1-((R)-(4-methoxyphenyl)(phenethoxy)methyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID JpCjCjrDhkP
InChI InChI=1S/C29H32O4/c1-28(23-11-15-26(31-3)16-12-23)29(19-24(29)20-33-28)27(22-9-13-25(30-2)14-10-22)32-18-17-21-7-5-4-6-8-21/h4-16,24,27H,17-20H2,1-3H3/t24-,27-,28-,29-/m1/s1
InChIKey IZGIYEDAQTWZHA-BSULFMODSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H32O4
Exact Mass 444.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRodioB1xky
Name (1R,2R,5S)-2-(4-methoxyphenyl)-1-((R)-(4-methoxyphenyl)(phenethoxy)methyl)-2-methyl-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O4
InChI InChI=1S/C29H32O4/c1-28(23-11-15-26(31-3)16-12-23)29(19-24(29)20-33-28)27(22-9-13-25(30-2)14-10-22)32-18-17-21-7-5-4-6-8-21/h4-16,24,27H,17-20H2,1-3H3/t24-,27-,28-,29-/m1/s1
InChIKey IZGIYEDAQTWZHA-BSULFMODSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 444.571 g/mol
SMILES [C@@]1([C@]2([C@](C2)(CO1)[H])[C@@](c1ccc(cc1)OC)(OCCc1ccccc1)[H])(c1ccc(OC)cc1)C
SPLASH splash10-0a4r-0910300000-d84af7f196511f633300
Source of Spectrum A1-9-4917/SMS32-3l
Wiley ID 1758863