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Benzenepentanoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-.delta.,2,5-trimethoxy-.gamma.-methyl-, methyl ester, [R-(R*,S*)]-

View entire compound with spectra: 1 MS (GC)

Benzenepentanoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-.delta.,2,5-trimethoxy-.gamma.-methyl-, methyl ester, [R-(R*,S*)]-
SpectraBase Compound ID J9fyhKuubbQ
InChI InChI=1S/C22H31NO5/c1-14(8-11-20(24)26-5)21(27-6)18-12-17(25-4)13-19(22(18)28-7)23-15(2)9-10-16(23)3/h9-10,12-14,21H,8,11H2,1-7H3/t14-,21+/m0/s1
InChIKey CQKWEAOXAVUAGC-LHSJRXKWSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5e7PCHHVLz
Name Benzenepentanoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-.delta.,2,5-trimethoxy-.gamma.-methyl-, methyl ester, [R-(R*,S*)]-
Alternate Name(s) Methyl (4S,5R)-5-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-5-methoxy-4-methylpentanoate Methyl 5-[2,5-dimethoxy-3-(2',5'-dimethylpyrrolyl)-phenyl]-5-methoxy-4-methyl-pentanoate
CAS Registry Number 122911-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-14(8-11-20(24)26-5)21(27-6)18-12-17(25-4)13-19(22(18)28-7)23-15(2)9-10-16(23)3/h9-10,12-14,21H,8,11H2,1-7H3/t14-,21+/m0/s1
InChIKey CQKWEAOXAVUAGC-LHSJRXKWSA-N
Molecular Weight 389.492 g/mol
SMILES c1(-[n]2c(ccc2C)C)c(c([C@@]([C@](CCC(=O)OC)(C)[H])(OC)[H])cc(c1)OC)OC
SPLASH splash10-00ei-5098000000-6abaf7a82e0eb6b95fc0
Source of Spectrum KC-1990-57-29
Wiley ID 1364375