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.alpha.-D-manno-2-Octulopyranosidonic acid, methyl 3-deoxy-, methyl ester, tetrabenzoate
SpectraBase Compound ID G0mNfTgs4XE
InChI InChI=1S/C38H34O12/c1-37(50-35(42)28-21-13-6-14-22-28)24-38(44,36(43)45-2)49-30(31(37)48-34(41)27-19-11-5-12-20-27)29(47-33(40)26-17-9-4-10-18-26)23-46-32(39)25-15-7-3-8-16-25/h3-22,29-31,44H,23-24H2,1-2H3/t29-,30-,31+,37-,38-/m1/s1
InChIKey YPEZEVKUOJWCBD-ZXHGGAKISA-N
Mol Weight 682.7 g/mol
Molecular Formula C38H34O12
Exact Mass 682.205027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ju2AzLnfGbU
Name .alpha.-D-manno-2-Octulopyranosidonic acid, methyl 3-deoxy-, methyl ester, tetrabenzoate
CAS Registry Number 113974-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34O12
InChI InChI=1S/C38H34O12/c1-37(50-35(42)28-21-13-6-14-22-28)24-38(44,36(43)45-2)49-30(31(37)48-34(41)27-19-11-5-12-20-27)29(47-33(40)26-17-9-4-10-18-26)23-46-32(39)25-15-7-3-8-16-25/h3-22,29-31,44H,23-24H2,1-2H3/t29-,30-,31+,37-,38-/m1/s1
InChIKey YPEZEVKUOJWCBD-ZXHGGAKISA-N
Molecular Weight 682.678 g/mol
SMILES O[C@]1(O[C@]([C@](OC(=O)c2ccccc2)(COC(=O)c2ccccc2)[H])([C@@]([C@@](C1)(OC(=O)c1ccccc1)C)(OC(=O)c1ccccc1)[H])[H])C(=O)OC
SPLASH splash10-0a4i-0900000000-1a3f3074dcc9627e30cf
Source of Spectrum C-110-3938-53
Synonyms Methyl 4,5,7,8-tetra-O-benzoyl-3-deoxy-4-C-methyl-.alpha.-D-manno-oct-2-ulopyranosonate
Wiley ID 1414398