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3-O-Benzyl-2-t-butyloxycarbonylamino-2-deoxy-5,6-O-isopropylidene-4-O-methanesulfonnyl-1-O-triphenylmethyl-D-glucitol
SpectraBase Compound ID IUCqKcaL6z3
InChI InChI=1S/C41H49NO9S/c1-39(2,3)50-38(43)42-34(28-48-41(31-21-13-8-14-22-31,32-23-15-9-16-24-32)33-25-17-10-18-26-33)36(46-27-30-19-11-7-12-20-30)37(51-52(6,44)45)35-29-47-40(4,5)49-35/h7-26,34-37H,27-29H2,1-6H3,(H,42,43)/t34-,35+,36+,37+/m0/s1
InChIKey AEUMZMKVVUHDKD-UPIAJAFBSA-N
Mol Weight 731.9 g/mol
Molecular Formula C41H49NO9S
Exact Mass 731.312803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LH5KZr2HXVC
Name 3-O-Benzyl-2-t-butyloxycarbonylamino-2-deoxy-5,6-O-isopropylidene-4-O-methanesulfonnyl-1-O-triphenylmethyl-D-glucitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H49NO9S
InChI InChI=1S/C41H49NO9S/c1-39(2,3)50-38(43)42-34(28-48-41(31-21-13-8-14-22-31,32-23-15-9-16-24-32)33-25-17-10-18-26-33)36(46-27-30-19-11-7-12-20-30)37(51-52(6,44)45)35-29-47-40(4,5)49-35/h7-26,34-37H,27-29H2,1-6H3,(H,42,43)/t34-,35+,36+,37+/m0/s1
InChIKey AEUMZMKVVUHDKD-UPIAJAFBSA-N
Molecular Weight 731.901 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@]([C@](OS(=O)(=O)C)([C@@]1(OC(C)(C)OC1)[H])[H])(OCc1ccccc1)[H])(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-000i-0009000000-c297aa644e79b607b746
Source of Spectrum F-50-13307-15
Synonyms 3-O-benzyl-2-[(tert-butoxycarbonyl)amino]-2-deoxy-5,6-O-(1-methylethylidene)-4-O-(methylsulfonyl)-1-O-trityl-D-xylo-hexitol Methanesulfonic acid (1S,2R,3S)-2-benzyloxy-3-tert-butoxycarbonylamino-1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-trityloxy-butyl ester
Wiley ID 790055