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D-threo-Pentonic acid, 3,4-dideoxy-5-C-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-4-methyl-5-O-methyl-, methyl ester, (5R)-
SpectraBase Compound ID IFtBqwlhf63
InChI InChI=1S/C22H31NO6/c1-13(10-19(24)22(25)29-7)20(27-5)17-11-16(26-4)12-18(21(17)28-6)23-14(2)8-9-15(23)3/h8-9,11-13,19-20,24H,10H2,1-7H3
InChIKey NZANSYFTVJNOSS-UHFFFAOYSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Sj7iTrWhCT
Name D-threo-Pentonic acid, 3,4-dideoxy-5-C-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-4-methyl-5-O-methyl-, methyl ester, (5R)-
Alternate Name(s) Methyl 3,4-dideoxy-5-C-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-4-methyl-5-O-methylpentonate Methyl 5-[2,5-dimethoxy-3-(2',5'-dimethylpyrrolyl)-phenyl]-5-methoxy-4-methyl-2-hydroxypentanoate
CAS Registry Number 128836-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-13(10-19(24)22(25)29-7)20(27-5)17-11-16(26-4)12-18(21(17)28-6)23-14(2)8-9-15(23)3/h8-9,11-13,19-20,24H,10H2,1-7H3
InChIKey NZANSYFTVJNOSS-UHFFFAOYSA-N
Molecular Weight 405.491 g/mol
SMILES OC(C(=O)OC)CC(C(c1c(c(-[n]2c(ccc2C)C)cc(c1)OC)OC)OC)C
SPLASH splash10-05fr-0090600000-3a4320e11948ef2a816b
Source of Spectrum KC-1990-58-34
Wiley ID 1371757