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

ID: Reference12353

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[(4-methoxyphenyl)carbamate];
NAT6-270259

Formula: C22H21F3N2O6

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-[(4-methoxyphenyl)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 2935
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/10/2023 8:20:31 AM
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Identificators

InChI InChI=1S/C22H21F3N2O6/c1-30-15-8-6-14(7-9-15)26-21(29)33-17-11-32-18-16(10-31-19(17)18)27-20(28)12-2-4-13(5-3-12)22(23,24)25/h2-9,16-19H,10-11H2,1H3,(H,26,29)(H,27,28)/t16-,17+,18+,19+/m0/s1
InChI Key JMCQQYRXWYBCBA-WJFTUGDTSA-N
Canonical SMILES COC1=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-methoxyphenyl)carbamate];
NAT6-270259

In Other Databases

PubChem 11884054
ChemSpider 10058382