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1,3,5-tri-o-Benzoyl-2-o-p-nitrobenzoyl-.alpha.-D-arabinose

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1,3,5-tri-o-Benzoyl-2-o-p-nitrobenzoyl-.alpha.-D-arabinose
SpectraBase Compound ID 2ekdML7eyPc
InChI InChI=1S/C33H25NO11/c35-29(21-10-4-1-5-11-21)42-26-20-41-33(45-32(38)23-14-8-3-9-15-23)28(27(26)43-30(36)22-12-6-2-7-13-22)44-31(37)24-16-18-25(19-17-24)34(39)40/h1-19,26-28,33H,20H2/t26-,27+,28-,33-/m1/s1
InChIKey HMTSOHVNUKSCKA-LSBIRFPWSA-N
Mol Weight 611.6 g/mol
Molecular Formula C33H25NO11
Exact Mass 611.142761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eBYitBNkLA
Name 1,3,5-tri-o-Benzoyl-2-o-p-nitrobenzoyl-.alpha.-D-arabinose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 611.142760618 u
Formula C33H25NO11
InChI InChI=1S/C33H25NO11/c35-29(21-10-4-1-5-11-21)42-26-20-41-33(45-32(38)23-14-8-3-9-15-23)28(27(26)43-30(36)22-12-6-2-7-13-22)44-31(37)24-16-18-25(19-17-24)34(39)40/h1-19,26-28,33H,20H2/t26-,27+,28-,33-/m1/s1
InChIKey HMTSOHVNUKSCKA-LSBIRFPWSA-N
Molecular Weight 611.559 g/mol
SMILES [C@@]1(CO[C@@]([C@@]([C@]1(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H]