1,4:3,6-Dianhydro-2-deoxy-5-O-[(3,5-dimethoxyphenyl)carbamoyl]-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-(3,5-dimethoxyphenyl)carbamate

ID: Reference12433

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[(3,5-dimethoxyphenyl)carbamate];
NAT6-269739

Formula: C23H23F3N2O7

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-[(3,5-dimethoxyphenyl)carbamoyl]-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 2329
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2023 10:30:34 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H23F3N2O7/c1-31-15-7-14(8-16(9-15)32-2)27-22(30)35-18-11-34-19-17(10-33-20(18)19)28-21(29)12-3-5-13(6-4-12)23(24,25)26/h3-9,17-20H,10-11H2,1-2H3,(H,27,30)(H,28,29)/t17-,18+,19+,20+/m0/s1
InChI Key HDLMLVMODYNNON-MTQWCTHYSA-N
Canonical SMILES COC1=CC(=CC(=C1)NC(=O)OC2COC3C2OCC3NC(=O)C4=CC=C(C=C4)C(F)(F)F)OC
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[(3,5-dimethoxyphenyl)carbamate];
NAT6-269739

In Other Databases

ChemSpider 10057697
PubChem 11883369