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(2S)-4-(1,3-benzodioxol-5-yl)-2-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoic acid methyl ester
SpectraBase Compound ID DutZO8HO8GR
InChI InChI=1S/C22H26O8/c1-25-18-10-14(11-19(26-2)21(18)27-3)20(23)15(22(24)28-4)7-5-13-6-8-16-17(9-13)30-12-29-16/h6,8-11,15,20,23H,5,7,12H2,1-4H3/t15-,20-/m0/s1
InChIKey VBBCHFPJNMQVEO-YWZLYKJASA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wu4wF1baWn
Name (2S)-4-(1,3-benzodioxol-5-yl)-2-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoic acid methyl ester
Alternate Name(s) (2S)-4-(1,3-benzodioxol-5-yl)-2-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butyric acid methyl ester Methyl (2S)-4-(1,3-benzodioxol-5-yl)-2-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoate Methyl (2S)-4-(1,3-benzodioxol-5-yl)-2-[(R)-oxidanyl-(3,4,5-trimethoxyphenyl)methyl]butanoate
CAS Registry Number 119046-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-25-18-10-14(11-19(26-2)21(18)27-3)20(23)15(22(24)28-4)7-5-13-6-8-16-17(9-13)30-12-29-16/h6,8-11,15,20,23H,5,7,12H2,1-4H3/t15-,20-/m0/s1
InChIKey VBBCHFPJNMQVEO-YWZLYKJASA-N
Molecular Weight 418.442 g/mol
SMILES O[C@@](c1cc(OC)c(c(c1)OC)OC)([C@@](C(=O)OC)(CCc1cc2OCOc2cc1)[H])[H]
SPLASH splash10-000b-1900000000-151225e04db96aa1258e
Source of Spectrum B-41-917-58
Wiley ID 1377138