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(3AS,4S,5S,6R,6AR)-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-6-(HYDROXYMETHYL)-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-ALLOP
SpectraBase Compound ID LRzurSJCPdp
InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11-,12-,13+,14-,15-,16+,17+,18+,19+,20-,21+,22-,23+,24+/m1/s1
InChIKey MDWNFWDBQGOKNZ-RRZWWHTOSA-N
Mol Weight 622.6 g/mol
Molecular Formula C25H42N4O14
Exact Mass 622.269752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aMjyOVZFN5
Name (3AS,4S,5S,6R,6AR)-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-6-(HYDROXYMETHYL)-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-ALLOP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42N4O14
InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11-,12-,13+,14-,15-,16+,17+,18+,19+,20-,21+,22-,23+,24+/m1/s1
InChIKey MDWNFWDBQGOKNZ-RRZWWHTOSA-N
Literature Reference Author J.L.MALOISEL,A.VASELLA,B.M.TROST,D.L.VANVRANKEN
Literature Reference Citation HELV.CHIM.ACTA,75,1515(1992)
Literature Reference DOI 10.1002/hlca.19920750506
Molecular Weight 622.627 g/mol
Solvent D2O:CD3COOD=0.3%
Source File Reference UWCS8686