5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{[4-(trifluoromethyl)benzoyl]amino}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[[4-(Trifluoromethyl)benzoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate

ID: Reference12358

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[(4-acetylphenyl)carbamate];
NAT6-270909

Formula: C23H21F3N2O6

Spectral Data

5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{[4-(trifluoromethyl)benzoyl]amino}-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2609
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/10/2023 8:29:17 AM
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Identificators

InChI InChI=1S/C23H21F3N2O6/c1-12(29)13-4-8-16(9-5-13)27-22(31)34-18-11-33-19-17(10-32-20(18)19)28-21(30)14-2-6-15(7-3-14)23(24,25)26/h2-9,17-20H,10-11H2,1H3,(H,27,31)(H,28,30)/t17-,18+,19+,20+/m0/s1
InChI Key RKAXAPCFMCTBKB-MTQWCTHYSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3NC(=O)C4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[(4-acetylphenyl)carbamate];
NAT6-270909

In Other Databases

ChemSpider 10058476
PubChem 11884148