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(-)-CENTROLOBIN
SpectraBase Compound ID LDSbPllXK2f
InChI InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m0/s1
InChIKey VKLGDLFSGNHXAV-VQTJNVASSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcqifXEW9by
Name (+)-(2S,6R)-6-[2,4-(Hydroxyphenyl)ethyl]-2-(4-methoxyphenyl)tetrahydro-2H-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m0/s1
InChIKey VKLGDLFSGNHXAV-VQTJNVASSA-N
Literature Reference DOI 10.1002/hlca.201000096
Molecular Weight 312.409 g/mol
SMILES Oc1ccc(CC[C@@]2(CCC[C@](c3ccc(cc3)OC)(O2)[H])[H])cc1
SPLASH splash10-0c01-0902000000-9c22e99b06aba00f8a53
Source of Spectrum H-93-1294-(+)_1
Synonyms (+)-Centrolobine (+)-4-{2-[(2S,6R)-6-(4-Methoxyphenyl)-tetrahydro-2H-pyran-2-yl]ethyl}phenol (+)-4-{2-[(2S,6R)Tetrahydro-6-(4-methoxyphenyl)-2H-pyran-2-yl]ethyl}phenol 4-(2-((2S,6R)-6-(4-methoxyphenyl)tetrahydro-2H-pyran-2-yl)ethyl)phenol
Wiley ID 1783988