2,6-Anhydro-5-O-[4-({6-O-[4-(β-D-glucopyranosyloxy)-2-methylenebutanoyl]-β-D-glucopyranosyl}oxy)-2-methylenebutanoyl]-1-O-(4-hydroxy-2-methylenebutanoyl)hexitol

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Systematic / IUPAC Name: [3,4-Dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

ID: Reference8251

Other Names: Hexitol, 2,6-anhydro-, 5-[4-[[6-O-[4-(β-D-glucopyranosyloxy)-2-methylene-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methylenebutanoate] 1-(4-hydroxy-2-methylenebutanoate)

Formula: C33H50O21

Spectral Data

2,6-Anhydro-5-O-[4-({6-O-[4-(β-D-glucopyranosyloxy)-2-methylenebutanoyl]-β-D-glucopyranosyl}oxy)-2-methylenebutanoyl]-1-O-(4-hydroxy-2-methylenebutanoyl)hexitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 4
No. of Spectra 2684
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/18/2018 11:45:13 AM
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Identificators

InChI InChI=1S/C33H50O21/c1-14(4-7-34)29(44)50-11-18-22(37)23(38)19(12-49-18)52-31(46)16(3)6-9-48-33-28(43)26(41)24(39)20(54-33)13-51-30(45)15(2)5-8-47-32-27(42)25(40)21(36)17(10-35)53-32/h17-28,32-43H,1-13H2/t17-,18?,19?,20-,21-,22?,23?,24-,25+,26+,27-,28-,32-,33-/m1/s1
InChI Key GBGKVNUYCBHABP-CPDKWHJTSA-N
Canonical SMILES C=C(CCO)C(=O)OCC1C(C(C(CO1)OC(=O)C(=C)CCOC2C(C(C(C(O2)COC(=O)C(=C)CCOC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O
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Other Names Hexitol, 2,6-anhydro-, 5-[4-[[6-O-[4-(β-D-glucopyranosyloxy)-2-methylene-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methylenebutanoate] 1-(4-hydroxy-2-methylenebutanoate)

In Other Databases

PubChem 45360111
ChemSpider 22913964