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4-O-Acetyl-3-O-benzyl-2-t-butyloxycarbonylamino-2-deoxy-5,6-O-isopropylidene-1-O-triphenylmethyl-D-glalacitol
SpectraBase Compound ID I7tjtf7qSZp
InChI InChI=1S/C42H49NO8/c1-30(44)49-38(36-29-47-41(5,6)50-36)37(46-27-31-19-11-7-12-20-31)35(43-39(45)51-40(2,3)4)28-48-42(32-21-13-8-14-22-32,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,35-38H,27-29H2,1-6H3,(H,43,45)/t35-,36+,37+,38-/m0/s1
InChIKey JOWSPMZZZZRJBI-LQDUMDOSSA-N
Mol Weight 695.9 g/mol
Molecular Formula C42H49NO8
Exact Mass 695.345818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yV9938idAp
Name 4-O-Acetyl-3-O-benzyl-2-t-butyloxycarbonylamino-2-deoxy-5,6-O-isopropylidene-1-O-triphenylmethyl-D-glalacitol
Alternate Name(s) 4-O-acetyl-3-O-benzyl-2-[(tert-butoxycarbonyl)amino]-2-deoxy-5,6-O-(1-methylethylidene)-1-O-trityl-D-galactitol Acetic acid (1R,2R,3S)-2-benzyloxy-3-tert-butoxycarbonylamino-1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-trityloxy-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H49NO8
InChI InChI=1S/C42H49NO8/c1-30(44)49-38(36-29-47-41(5,6)50-36)37(46-27-31-19-11-7-12-20-31)35(43-39(45)51-40(2,3)4)28-48-42(32-21-13-8-14-22-32,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,35-38H,27-29H2,1-6H3,(H,43,45)/t35-,36+,37+,38-/m0/s1
InChIKey JOWSPMZZZZRJBI-LQDUMDOSSA-N
Molecular Weight 695.853 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@]([C@]([C@@]1(OC(C)(C)OC1)[H])(OC(=O)C)[H])(OCc1ccccc1)[H])(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-0006-0090000000-43b7dde3ce7b56d47240
Source of Spectrum F-50-13308-19
Wiley ID 790053