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Octa-O-benzoyl-3-O-(.alpha.-D-glucopyranosyl)-D-arabinitol
SpectraBase Compound ID 1h9ILLamRGd
InChI InChI=1S/C67H54O18/c68-59(44-25-9-1-10-26-44)77-42-53(80-62(71)47-31-15-4-16-32-47)55(82-63(72)48-33-17-5-18-34-48)52(79-61(70)46-29-13-3-14-30-46)41-76-57-56(83-64(73)49-35-19-6-20-36-49)54(43-78-60(69)45-27-11-2-12-28-45)81-67(85-66(75)51-39-23-8-24-40-51)58(57)84-65(74)50-37-21-7-22-38-50/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56-,57+,58-,67-/m1/s1
InChIKey XBVVHUMINIOYSF-MUBYTKAWSA-N
Mol Weight 1147.2 g/mol
Molecular Formula C67H54O18
Exact Mass 1146.331015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzYyaB6DHgR
Name Octa-O-benzoyl-3-O-(.alpha.-D-glucopyranosyl)-D-arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C67H54O18
InChI InChI=1S/C67H54O18/c68-59(44-25-9-1-10-26-44)77-42-53(80-62(71)47-31-15-4-16-32-47)55(82-63(72)48-33-17-5-18-34-48)52(79-61(70)46-29-13-3-14-30-46)41-76-57-56(83-64(73)49-35-19-6-20-36-49)54(43-78-60(69)45-27-11-2-12-28-45)81-67(85-66(75)51-39-23-8-24-40-51)58(57)84-65(74)50-37-21-7-22-38-50/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56-,57+,58-,67-/m1/s1
InChIKey XBVVHUMINIOYSF-MUBYTKAWSA-N
Molecular Weight 1147.151 g/mol
SMILES [C@]1([C@](O[C@@]([C@]([C@@]1(OC[C@]([C@@](OC(=O)c1ccccc1)([C@](OC(=O)c1ccccc1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])(COC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-2910000000-d14c4c122d5f97fc69e9
Source of Spectrum O-26-801-14
Synonyms (2R,3R,4S,5R,6R)-5,6-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-4-{[2,3,4,5-tetrakis(benzoyloxy)pentyl]oxy}oxan-3-yl benzoate
Wiley ID 1418633