(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(4-methylbenzyl)amino]-D-erythro-hexitol

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Systematic / IUPAC Name: (2R,3S,6S)-6-[[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol

ID: Reference13043

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[[(4-methylphenyl)methyl]amino]-;
NAT12-540405

Formula: C24H27FN2O3

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(4-methylbenzyl)amino]-D-erythro-hexitol 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 1275
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/29/2024 9:33:02 AM
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Identificators

InChI InChI=1S/C24H27FN2O3/c1-16-2-4-17(5-3-16)14-26-15-24-22(28)11-10-21(29-24)12-20-13-23(30-27-20)18-6-8-19(25)9-7-18/h2-9,13,21-22,24,26,28H,10-12,14-15H2,1H3/t21-,22-,24+/m0/s1
InChI Key LYJMYMOWQAIVCN-WPFOTENUSA-N
Canonical SMILES CC1=CC=C(C=C1)CNCC2C(CCC(O2)CC3=NOC(=C3)C4=CC=C(C=C4)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[[(4-methylphenyl)methyl]amino]-;
NAT12-540405

In Other Databases

PubChem 75536265
ChemSpider 29856520