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(+/-)-4beta-(Acetoxymethyl)-1beta-(benzyloxycarbonylamino)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(+/-)-4beta-(Acetoxymethyl)-1beta-(benzyloxycarbonylamino)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol
SpectraBase Compound ID BMvtjd8faQU
InChI InChI=1S/C19H25NO7/c1-12(21)25-11-19(23)9-14(15-16(19)27-18(2,3)26-15)20-17(22)24-10-13-7-5-4-6-8-13/h4-8,14-16,23H,9-11H2,1-3H3,(H,20,22)/t14-,15-,16-,19-/m1/s1
InChIKey VXCUDFLOMLGWPL-YKTARERQSA-N
Mol Weight 379.41 g/mol
Molecular Formula C19H25NO7
Exact Mass 379.163102 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7AIDVSeo99
Name (+/-)-4beta-(acetoxymethyl)-1beta-(benzyloxycarbonylamino)-2alpha,3alpha-o-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.163102142 u
Formula C19H25NO7
InChI InChI=1S/C19H25NO7/c1-12(21)25-11-19(23)9-14(15-16(19)27-18(2,3)26-15)20-17(22)24-10-13-7-5-4-6-8-13/h4-8,14-16,23H,9-11H2,1-3H3,(H,20,22)/t14-,15-,16-,19-/m1/s1
InChIKey VXCUDFLOMLGWPL-YKTARERQSA-N
Molecular Weight 379.409 g/mol
SMILES [C@]12([C@@](C[C@]([C@]2(OC(O1)(C)C)[H])(NC(=O)OCC1=CC=CC=C1)[H])(COC(C)=O)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881037