(1S)-1,5-Anhydro-2,3,6-trideoxy-6-(dimethylamino)-1-{[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: (2R,3S,6S)-2-[(Dimethylamino)methyl]-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

ID: Reference11200

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-(dimethylamino)-1-[5-(3-hydroxyphenyl)-3-isoxazolyl]-;
NAT12-540828

Formula: C18H24N2O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-(dimethylamino)-1-{[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl}-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 184
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/11/2022 10:00:03 AM
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Identificators

InChI InChI=1S/C18H24N2O4/c1-20(2)11-18-16(22)7-6-15(23-18)9-13-10-17(24-19-13)12-4-3-5-14(21)8-12/h3-5,8,10,15-16,18,21-22H,6-7,9,11H2,1-2H3/t15-,16-,18+/m0/s1
InChI Key NHZXAWYHZAQHLG-XYJFISCASA-N
Canonical SMILES CN(C)CC1C(CCC(O1)CC2=NOC(=C2)C3=CC(=CC=C3)O)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-(dimethylamino)-1-[5-(3-hydroxyphenyl)-3-isoxazolyl]-;
NAT12-540828

In Other Databases

ChemSpider 29856701
PubChem 75536382