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(3R,4S)-3-(4-Hydroxy-3-methoxy-benzyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-hydroxymethyl-1-methyl-pyrrolidin-2-one
SpectraBase Compound ID KmZ1GOl1bpG
InChI InChI=1S/C21H25NO6/c1-22-20(13-5-7-17(25)19(10-13)28-3)15(11-23)14(21(22)26)8-12-4-6-16(24)18(9-12)27-2/h4-7,9-10,14-15,20,23-25H,8,11H2,1-3H3/t14-,15+,20?/m1/s1
InChIKey MTTVZWCFOUPZTQ-FKTKBCEVSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQqGwNSQvf6
Name (3R,4S)-3-(4-Hydroxy-3-methoxy-benzyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-hydroxymethyl-1-methyl-pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-22-20(13-5-7-17(25)19(10-13)28-3)15(11-23)14(21(22)26)8-12-4-6-16(24)18(9-12)27-2/h4-7,9-10,14-15,20,23-25H,8,11H2,1-3H3/t14-,15+,20?/m1/s1
InChIKey MTTVZWCFOUPZTQ-FKTKBCEVSA-N
Molecular Weight 387.432 g/mol
SMILES Oc1c(cc(C[C@]2(C(N(C(c3cc(c(cc3)O)OC)[C@]2(CO)[H])C)=O)[H])cc1)OC
SPLASH splash10-000i-0496000000-517a02f6169b521d50ea
Source of Spectrum F5-2-2234-13b
Synonyms 3-[3'-Methoxy-4'-hydroxybenzyl)-4-(hydroxymethyl)-5-[3''-methoxy-4''-hydroxyphenyl)-tetrahydropyrrol-2-one (3R,4S)-3-(4-hydroxy-3-methoxybenzyl)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one
Wiley ID 1731958