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(3S,4R,E)-4-Hydroxy-3-methylhexyl 2,3,4,6-O-Tetrapivaloyl-.beta.-glucopyranoside
SpectraBase Compound ID KpcVTgC5qa9
InChI InChI=1S/C33H58O11/c1-15-20(34)19(2)16-17-39-25-24(44-29(38)33(12,13)14)23(43-28(37)32(9,10)11)22(42-27(36)31(6,7)8)21(41-25)18-40-26(35)30(3,4)5/h19-25,34H,15-18H2,1-14H3/t19-,20+,21+,22+,23-,24+,25+/m0/s1
InChIKey GWKIMGQUERADRD-VQCHMSJISA-N
Mol Weight 630.8 g/mol
Molecular Formula C33H58O11
Exact Mass 630.397913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sHodYVA7Gc
Name (3S,4R,E)-4-Hydroxy-3-methylhexyl 2,3,4,6-O-Tetrapivaloyl-.beta.-glucopyranoside
Alternate Name(s) (3S,4R)-4-hydroxy-3-methylhexyl 2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-.beta.-D-glucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H58O11
InChI InChI=1S/C33H58O11/c1-15-20(34)19(2)16-17-39-25-24(44-29(38)33(12,13)14)23(43-28(37)32(9,10)11)22(42-27(36)31(6,7)8)21(41-25)18-40-26(35)30(3,4)5/h19-25,34H,15-18H2,1-14H3/t19-,20+,21+,22+,23-,24+,25+/m0/s1
InChIKey GWKIMGQUERADRD-VQCHMSJISA-N
Molecular Weight 630.816 g/mol
SMILES O[C@@]([C@](CCO[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])[H])(C)[H])(CC)[H]
SPLASH splash10-0a4i-9010100000-2d4d195340cbe39ec9e0
Source of Spectrum F-53-16104-8
Wiley ID 804425