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Phenol, 4-[5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy-, [2R-(2.alpha.,3.alpha.,4.beta.,5.alpha.)]-
SpectraBase Compound ID I75juppJXaT
InChI InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m1/s1
InChIKey JPDORDSJPIKURD-DRLYEABHSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDmreSzPE1B
Name Phenol, 4-[5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy-, [2R-(2.alpha.,3.alpha.,4.beta.,5.alpha.)]-
CAS Registry Number 55890-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m1/s1
InChIKey JPDORDSJPIKURD-DRLYEABHSA-N
Molecular Weight 342.391 g/mol
SMILES Oc1ccc([C@]2(O[C@]([C@](C)([C@]2(C)[H])[H])(c2cc3OCOc3cc2)[H])[H])cc1OC
SPLASH splash10-0006-0901000000-df6fc0a31bcd8a6ce60d
Source of Spectrum B-28-89-0
Synonyms 4-[(2S,3R,4R,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol Austrobailignan 7
Wiley ID 1336635