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(1R,2R,3R,4R,5S)-5-Benzyloxyamino-1,2-diacetoxy-3,4-isopropylidenedioxycyclohexane

View entire compound with spectra: 1 MS (GC)

(1R,2R,3R,4R,5S)-5-Benzyloxyamino-1,2-diacetoxy-3,4-isopropylidenedioxycyclohexane
SpectraBase Compound ID 6D4ol2vhnyE
InChI InChI=1S/C20H27NO7/c1-12(22)25-16-10-15(21-24-11-14-8-6-5-7-9-14)17-19(18(16)26-13(2)23)28-20(3,4)27-17/h5-9,15-19,21H,10-11H2,1-4H3/t15-,16+,17+,18+,19+/m0/s1
InChIKey RXTSCCWTLPZRGB-UURKPOQGSA-N
Mol Weight 393.44 g/mol
Molecular Formula C20H27NO7
Exact Mass 393.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FE49s1CbzsX
Name (1R,2R,3R,4R,5S)-5-Benzyloxyamino-1,2-diacetoxy-3,4-isopropylidenedioxycyclohexane
Alternate Name(s) (3aR,4R,5R,7S,7aR)-4-(acetyloxy)-7-[(benzyloxy)amino]-2,2-dimethylhexahydro-1,3-benzodioxol-5-yl acetate 5-Benzyloxyamino-1,2-diacetoxy-3,4-isopropylidenedioxycyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO7
InChI InChI=1S/C20H27NO7/c1-12(22)25-16-10-15(21-24-11-14-8-6-5-7-9-14)17-19(18(16)26-13(2)23)28-20(3,4)27-17/h5-9,15-19,21H,10-11H2,1-4H3/t15-,16+,17+,18+,19+/m0/s1
InChIKey RXTSCCWTLPZRGB-UURKPOQGSA-N
Molecular Weight 393.436 g/mol
SMILES N([C@@]1([C@@]2([C@]([C@@]([C@@](C1)(OC(=O)C)[H])(OC(=O)C)[H])(OC(C)(C)O2)[H])[H])[H])OCc1ccccc1
SPLASH splash10-0006-9020000000-ec348b65859fbe5a88df
Source of Spectrum AT-32-6440-7
Wiley ID 836050