1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-(Cyclohexanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference12435

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269874

Formula: C21H25F3N2O5

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-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 1754
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2023 11:16:32 AM
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Identificators

InChI InChI=1S/C21H25F3N2O5/c22-21(23,24)13-7-4-8-14(9-13)25-20(28)31-16-11-30-17-15(10-29-18(16)17)26-19(27)12-5-2-1-3-6-12/h4,7-9,12,15-18H,1-3,5-6,10-11H2,(H,25,28)(H,26,27)/t15-,16+,17+,18+/m0/s1
InChI Key IXDGWCAQMWGWNB-BSDSXHPESA-N
Canonical SMILES C1CCC(CC1)C(=O)NC2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269874

In Other Databases

PubChem 11883392
ChemSpider 10057720