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(1R,2S,3R,4S,5S)-2-Azido-4,5-Di-O-acetyl-3-O-benzyl-5-((benzyloxy)methyl)cyclohexane-1,3,4,5-tetrol
SpectraBase Compound ID FEbpjRL9wUb
InChI InChI=1S/C25H29N3O7/c1-17(29)34-24-23(33-15-20-11-7-4-8-12-20)22(27-28-26)21(31)13-25(24,35-18(2)30)16-32-14-19-9-5-3-6-10-19/h3-12,21-24,31H,13-16H2,1-2H3/t21-,22+,23-,24+,25+/m1/s1
InChIKey JKWJJAAUZAUIQQ-KJWQXZETSA-N
Mol Weight 483.52 g/mol
Molecular Formula C25H29N3O7
Exact Mass 483.20055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbAh74ANFd9
Name (1R,2S,3R,4S,5S)-2-Azido-4,5-Di-O-acetyl-3-O-benzyl-5-((benzyloxy)methyl)cyclohexane-1,3,4,5-tetrol
Alternate Name(s) (1S,2S,3R,4S,5R)-2-(acetyloxy)-4-azido-3-(benzyloxy)-1-[(benzyloxy)methyl]-5-hydroxycyclohexyl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O7
InChI InChI=1S/C25H29N3O7/c1-17(29)34-24-23(33-15-20-11-7-4-8-12-20)22(27-28-26)21(31)13-25(24,35-18(2)30)16-32-14-19-9-5-3-6-10-19/h3-12,21-24,31H,13-16H2,1-2H3/t21-,22+,23-,24+,25+/m1/s1
InChIKey JKWJJAAUZAUIQQ-KJWQXZETSA-N
Molecular Weight 483.521 g/mol
SMILES O[C@]1([C@](N=[N+]=[N-])([C@]([C@@]([C@@](C1)(OC(=O)C)COCc1ccccc1)(OC(=O)C)[H])(OCc1ccccc1)[H])[H])[H]
SPLASH splash10-0006-9000000000-56cba924984db53dda09
Source of Spectrum J-61-8475-13
Wiley ID 1395815