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(+)-(alpha-R)-alpha-[(2E)-4-(4-Methoxyphenyl)-but-2-en-1-yl]-4-(phenylmethoxy)benzenepropanol
SpectraBase Compound ID BcnsYKs3kkf
InChI InChI=1S/C27H30O3/c1-29-26-17-12-22(13-18-26)7-5-6-10-25(28)16-11-23-14-19-27(20-15-23)30-21-24-8-3-2-4-9-24/h2-6,8-9,12-15,17-20,25,28H,7,10-11,16,21H2,1H3/b6-5+/t25-/m0/s1
InChIKey QKUAEYRRQUNHMJ-JOXKVKLASA-N
Mol Weight 402.53 g/mol
Molecular Formula C27H30O3
Exact Mass 402.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41lPXvaIeM8
Name (+)-(alpha-R)-alpha-[(2E)-4-(4-Methoxyphenyl)-but-2-en-1-yl]-4-(phenylmethoxy)benzenepropanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O3
InChI InChI=1S/C27H30O3/c1-29-26-17-12-22(13-18-26)7-5-6-10-25(28)16-11-23-14-19-27(20-15-23)30-21-24-8-3-2-4-9-24/h2-6,8-9,12-15,17-20,25,28H,7,10-11,16,21H2,1H3/b6-5+/t25-/m0/s1
InChIKey QKUAEYRRQUNHMJ-JOXKVKLASA-N
Literature Reference DOI 10.1002/hlca.201000096
Molecular Weight 402.534 g/mol
SMILES O[C@](CCc1ccc(OCc2ccccc2)cc1)(C\C=C\Cc1ccc(cc1)OC)[H]
SPLASH splash10-0006-9400100000-ab2bcdd344c2bcf8224d
Source of Spectrum H-93-1292-(+)_10
Synonyms (+)-(5E)-4'-O-(Benzyloxy)-5,6-didehydro-4''-O-methylcentrolobol (+)-(3R,5E)-1-[4-(Benzyloxy)phenyl]-7-(4-methoxyphenyl)hept-5-en-3-ol (R,E)-1-(4-(benzyloxy)phenyl)-7-(4-methoxyphenyl)hept-5-en-3-ol
Wiley ID 1783984