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1,2:5,6-Di-O-isopropylidene-a-d-allofuranos-3-yl (1S, 2R)-2-[(Benzyloxycarbonyl)amino]-1-phenylbutane-1-sulfonate
SpectraBase Compound ID 1KzkAfkTaAr
InChI InChI=1S/C30H39NO10S/c1-6-21(31-28(32)35-17-19-13-9-7-10-14-19)26(20-15-11-8-12-16-20)42(33,34)41-24-23(22-18-36-29(2,3)38-22)37-27-25(24)39-30(4,5)40-27/h7-16,21-27H,6,17-18H2,1-5H3,(H,31,32)/t21-,22-,23-,24-,25-,26+,27-/m1/s1
InChIKey DXTGTRAFXNQHDS-RZBSTYQOSA-N
Mol Weight 605.7 g/mol
Molecular Formula C30H39NO10S
Exact Mass 605.229468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cl3p6ixHC4
Name 1,2:5,6-Di-O-isopropylidene-a-d-allofuranos-3-yl (1S, 2R)-2-[(Benzyloxycarbonyl)amino]-1-phenylbutane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H39NO10S
InChI InChI=1S/C30H39NO10S/c1-6-21(31-28(32)35-17-19-13-9-7-10-14-19)26(20-15-11-8-12-16-20)42(33,34)41-24-23(22-18-36-29(2,3)38-22)37-27-25(24)39-30(4,5)40-27/h7-16,21-27H,6,17-18H2,1-5H3,(H,31,32)/t21-,22-,23-,24-,25-,26+,27-/m1/s1
InChIKey DXTGTRAFXNQHDS-RZBSTYQOSA-N
Molecular Weight 605.699 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]([C@@](S(O[C@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H])(=O)=O)(c1ccccc1)[H])(CC)[H]
SPLASH splash10-0006-6910030000-96ef8b1d4ec878856e75
Source of Spectrum F4-41-1686-3e
Wiley ID 1672391