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Tert-butyl 2,3-dieoxy-4-hydroxy-4-(2-methylidene-tert-butoxycarbonylethyl)-2-methylene-5-o-methoxymethyl-6,7;8,9-di-o-isopropylidene-D-gluco-nonanate

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

Tert-butyl 2,3-dieoxy-4-hydroxy-4-(2-methylidene-tert-butoxycarbonylethyl)-2-methylene-5-o-methoxymethyl-6,7;8,9-di-o-isopropylidene-D-gluco-nonanate
SpectraBase Compound ID 28GSlSKM1vG
InChI InChI=1S/C30H50O11/c1-18(24(31)40-26(3,4)5)14-30(33,15-19(2)25(32)41-27(6,7)8)23(35-17-34-13)22-21(38-29(11,12)39-22)20-16-36-28(9,10)37-20/h20-23,33H,1-2,14-17H2,3-13H3/t20-,21-,22+,23+/m1/s1
InChIKey BJSDOBCNHWXTNY-LUKWVAJMSA-N
Mol Weight 586.7 g/mol
Molecular Formula C30H50O11
Exact Mass 586.335312 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DV8YKUO3k3j
Name Tert-butyl 2,3-dieoxy-4-hydroxy-4-(2-methylidene-tert-butoxycarbonylethyl)-2-methylene-5-o-methoxymethyl-6,7;8,9-di-o-isopropylidene-D-gluco-nonanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.335312419 u
Formula C30H50O11
InChI InChI=1S/C30H50O11/c1-18(24(31)40-26(3,4)5)14-30(33,15-19(2)25(32)41-27(6,7)8)23(35-17-34-13)22-21(38-29(11,12)39-22)20-16-36-28(9,10)37-20/h20-23,33H,1-2,14-17H2,3-13H3/t20-,21-,22+,23+/m1/s1
InChIKey BJSDOBCNHWXTNY-LUKWVAJMSA-N
Molecular Weight 586.719 g/mol
SMILES [C@@]1([C@@]([C@@]2(OC(C)(C)OC2)[H])(OC(O1)(C)C)[H])([C@@](C(CC(C(OC(C)(C)C)=O)=C)(CC(C(OC(C)(C)C)=O)=C)O)(OCOC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953052