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.beta.-D-Glucopyranosiduronic acid, 1-naphthalenyl, methyl ester, tris(trifluoroacetate)
SpectraBase Compound ID 8D11wV9n59B
InChI InChI=1S/C23H15F9O10/c1-37-16(33)14-12(40-18(34)21(24,25)26)13(41-19(35)22(27,28)29)15(42-20(36)23(30,31)32)17(39-14)38-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12-15,17H,1H3/t12-,13-,14-,15+,17+/m0/s1
InChIKey OKWJLTUGSDCMND-NBFUAULTSA-N
Mol Weight 622.35 g/mol
Molecular Formula C23H15F9O10
Exact Mass 622.05215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LtiYjswZXu
Name .beta.-D-Glucopyranosiduronic acid, 1-naphthalenyl, methyl ester, tris(trifluoroacetate)
CAS Registry Number 54638-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15F9O10
InChI InChI=1S/C23H15F9O10/c1-37-16(33)14-12(40-18(34)21(24,25)26)13(41-19(35)22(27,28)29)15(42-20(36)23(30,31)32)17(39-14)38-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12-15,17H,1H3/t12-,13-,14-,15+,17+/m0/s1
InChIKey OKWJLTUGSDCMND-NBFUAULTSA-N
Molecular Weight 622.349 g/mol
SMILES [C@]1([C@@]([C@@](C(=O)OC)(O[C@]([C@@]1(OC(C(F)(F)F)=O)[H])(Oc1c2c(cccc2)ccc1)[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H]
SPLASH splash10-0006-0920000000-188eae293c915968de1e
Source of Spectrum JC-101-208-2
Synonyms Methyl 1-naphthyl 2,3,4-tris-O-(trifluoroacetyl)-.beta.-D-glucopyranosiduronate Methyl-trifluoroacetyl derivative of 1-naphthol glucuronide
Wiley ID 1411635