1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-[(4-methoxybenzoyl)amino]-D-glucitol

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

ID: Reference10955

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[(4-methoxybenzoyl)amino]-, 5-(cyclohexylcarbamate);
NAT6-269672

Formula: C21H28N2O6

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-[(4-methoxybenzoyl)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 860
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2021 8:40:11 AM
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Identificators

InChI InChI=1S/C21H28N2O6/c1-26-15-9-7-13(8-10-15)20(24)23-16-11-27-19-17(12-28-18(16)19)29-21(25)22-14-5-3-2-4-6-14/h7-10,14,16-19H,2-6,11-12H2,1H3,(H,22,25)(H,23,24)/t16-,17+,18+,19+/m0/s1
InChI Key VOUPEFWDROSPFF-WJFTUGDTSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)NC2COC3C2OCC3OC(=O)NC4CCCCC4
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[(4-methoxybenzoyl)amino]-, 5-(cyclohexylcarbamate);
NAT6-269672

In Other Databases

PubChem 40586229
ChemSpider 21384121