Sucrose acetate isobutyrate

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Systematic / IUPAC Name: 6-O-Acetyl-1,3,4-tri-O-isobutyryl-β-D-fructofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyryl-α-D-glucopyranoside

ID: Reference7898

Other Names:

Formula: C40H62O19

Class: Extractables/Leachables

Spectral Data

Sucrose acetate isobutyrate 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 1
No. of Spectra 315
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/9/2018 11:41:40 AM
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Identificators

InChI InChI=1S/C40H62O19/c1-18(2)33(43)51-17-40(32(57-38(48)23(11)12)29(54-35(45)20(5)6)27(58-40)16-50-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
InChI Key ZNEBZIJCDDCNRC-SWTLDUCYSA-N
Canonical SMILES CC(C)C(=O)OCC1(C(C(C(O1)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
CAS 126136
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Other Names

In Other Databases

ChemSpider 2016849
Wikipedia Sucrose acetate isobutyrate
PubChem 2735139