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(1R,2R,5S)-2-(4-methoxyphenyl)-2-methyl-1-((R)-phenethoxy(m-tolyl)methyl)-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID KbB2L1K9gsF
InChI InChI=1S/C29H32O3/c1-21-8-7-11-23(18-21)27(31-17-16-22-9-5-4-6-10-22)29-19-25(29)20-32-28(29,2)24-12-14-26(30-3)15-13-24/h4-15,18,25,27H,16-17,19-20H2,1-3H3/t25-,27-,28-,29-/m1/s1
InChIKey ZLDCVMSBJQJZCB-YXINZVNLSA-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 3kSv8gM3W4
Name (1R,2R,5S)-2-(4-methoxyphenyl)-2-methyl-1-((R)-phenethoxy(m-tolyl)methyl)-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O3
InChI InChI=1S/C29H32O3/c1-21-8-7-11-23(18-21)27(31-17-16-22-9-5-4-6-10-22)29-19-25(29)20-32-28(29,2)24-12-14-26(30-3)15-13-24/h4-15,18,25,27H,16-17,19-20H2,1-3H3/t25-,27-,28-,29-/m1/s1
InChIKey ZLDCVMSBJQJZCB-YXINZVNLSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 428.572 g/mol
SMILES [C@@]1([C@]2([C@](C2)(CO1)[H])[C@@](c1cccc(c1)C)(OCCc1ccccc1)[H])(c1ccc(cc1)OC)C
SPLASH splash10-0bti-0900300000-72eee207372e8d89a029
Source of Spectrum A1-9-4917/SMS35-3m
Wiley ID 1758864