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Methyl 1-O-(2,6-Dichlorophenyl)-2,3,4-tri-O-pivaloyl-.beta.-D-glucopyranuronate
SpectraBase Compound ID qKwyVgvIl1
InChI InChI=1S/C28H38Cl2O10/c1-26(2,3)23(32)38-17-18(39-24(33)27(4,5)6)20(40-25(34)28(7,8)9)22(37-19(17)21(31)35-10)36-16-14(29)12-11-13-15(16)30/h11-13,17-20,22H,1-10H3/t17-,18-,19-,20+,22+/m0/s1
InChIKey PDSRKUKCXGFDLP-YIUJWAEMSA-N
Mol Weight 605.5 g/mol
Molecular Formula C28H38Cl2O10
Exact Mass 604.184203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRPZX4sTfzU
Name Methyl 1-O-(2,6-Dichlorophenyl)-2,3,4-tri-O-pivaloyl-.beta.-D-glucopyranuronate
Alternate Name(s) (2S,3R,4S,5S,6S)-2-(2,6-dichlorophenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38Cl2O10
InChI InChI=1S/C28H38Cl2O10/c1-26(2,3)23(32)38-17-18(39-24(33)27(4,5)6)20(40-25(34)28(7,8)9)22(37-19(17)21(31)35-10)36-16-14(29)12-11-13-15(16)30/h11-13,17-20,22H,1-10H3/t17-,18-,19-,20+,22+/m0/s1
InChIKey PDSRKUKCXGFDLP-YIUJWAEMSA-N
Literature Reference DOI 10.1002_1521-4184(200103)334_3_101
Molecular Weight 605.508 g/mol
SMILES c1(c(cccc1Cl)Cl)O[C@]1([C@@]([C@]([C@@]([C@](O1)(C(OC)=O)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])[H]
SPLASH splash10-0a4i-9320000000-44a6fdc79d1c4a950a1a
Source of Spectrum APP-334-102-3a
Wiley ID 1770549