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2-AMINO-3-[(3-HYDROXY-1,2-DIMETHYLPOPYL)-SULFANYL]-PROPANOIC-ACID

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2-AMINO-3-[(3-HYDROXY-1,2-DIMETHYLPOPYL)-SULFANYL]-PROPANOIC-ACID
SpectraBase Compound ID 8B1TXUoN06K
InChI InChI=1S/4C8H17NO3S/c4*1-5(3-10)6(2)13-4-7(9)8(11)12/h4*5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t4*5-,6+,7-/m1100/s1
InChIKey RWCVPJGGCAPYRM-XGCLABBWSA-N
Mol Weight 829.15 g/mol
Molecular Formula C32H68N4O12S4
Exact Mass 828.371658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CSEXFFPTL6
Name 2-AMINO-3-[(3-HYDROXY-1,2-DIMETHYLPOPYL)-SULFANYL]-PROPANOIC-ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H68N4O12S4
InChI InChI=1S/4C8H17NO3S/c4*1-5(3-10)6(2)13-4-7(9)8(11)12/h4*5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t4*5-,6+,7-/m1100/s1
InChIKey RWCVPJGGCAPYRM-XGCLABBWSA-N
Literature Reference Author A.NATSCH,J.SCHMID,F.FLACHSMANN
Literature Reference Citation CHEM.BIODIV.,1,1058(2004)
Literature Reference DOI 10.1002/cbdv.200490079
Molecular Weight 829.152 g/mol
Solvent D2O
Source File Reference UWLU21678