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.beta.-D-Glucopyranose, 3,4-diacetate 1,2,6-tri-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 5Cw3qhX0fEf
InChI InChI=1S/C25H25N3O11/c1-13(29)35-19-18(12-34-22(31)15-6-3-9-26-15)37-25(39-24(33)17-8-5-11-28-17)21(20(19)36-14(2)30)38-23(32)16-7-4-10-27-16/h3-11,18-21,25-28H,12H2,1-2H3/t18-,19-,20+,21-,25+/m1/s1
InChIKey MOKHBEOJLKUTBV-LMHDGWJKSA-N
Mol Weight 543.49 g/mol
Molecular Formula C25H25N3O11
Exact Mass 543.148909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBuMjmDBXSf
Name .beta.-D-Glucopyranose, 3,4-diacetate 1,2,6-tri-1H-pyrrole-2-carboxylate
CAS Registry Number 95245-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N3O11
InChI InChI=1S/C25H25N3O11/c1-13(29)35-19-18(12-34-22(31)15-6-3-9-26-15)37-25(39-24(33)17-8-5-11-28-17)21(20(19)36-14(2)30)38-23(32)16-7-4-10-27-16/h3-11,18-21,25-28H,12H2,1-2H3/t18-,19-,20+,21-,25+/m1/s1
InChIKey MOKHBEOJLKUTBV-LMHDGWJKSA-N
Molecular Weight 543.485 g/mol
SMILES [nH]1cccc1C(O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(c1[nH]ccc1)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(c1[nH]ccc1)=O)[H])[H])=O
SPLASH splash10-0006-9100000000-b07e70c4a5c49dc1d816
Source of Spectrum B-38-205-0
Synonyms .beta.-D-glucopyranose 1,2,6-tri(pyrrole-2-oxycarbonyl)-3,4-diacetate 3,4-Di-O-acetyl-1,2,6-tris-O-(1H-pyrrol-2-ylcarbonyl)-.beta.-D-glucopyranose
Wiley ID 1404929