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

ID: Reference12018

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-, 5-[(4-methoxyphenyl)carbamate];
NAT6-270264

Formula: C21H28N2O6

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-5-O-[(4-methoxyphenyl)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 2230
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 9:00:38 AM
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Identificators

InChI InChI=1S/C21H28N2O6/c1-26-15-9-7-14(8-10-15)22-21(25)29-17-12-28-18-16(11-27-19(17)18)23-20(24)13-5-3-2-4-6-13/h7-10,13,16-19H,2-6,11-12H2,1H3,(H,22,25)(H,23,24)/t16-,17+,18+,19+/m0/s1
InChI Key HBVOAOKODCOIKL-WJFTUGDTSA-N
Canonical SMILES COC1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3NC(=O)C4CCCCC4
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[(cyclohexylcarbonyl)amino]-2-deoxy-, 5-[(4-methoxyphenyl)carbamate];
NAT6-270264

In Other Databases

ChemSpider 21384153
PubChem 40586265