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#1;3-AMINOPROPYL-O-5-(N-ACETAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTONON-2-ULOPYRANOSYL]-(2->3)-O-(BETA-D-GLUCOPYRANOSYL)-(1->4)-O-[(BETA-D-GLUCOPYRANOSYL)-(
SpectraBase Compound ID FDAPz6Oirdh
InChI InChI=1S/C52H89N3O39/c1-14(62)54-24-16(64)6-52(51(79)80,93-42(24)26(66)17(65)7-56)94-44-29(69)20(10-59)85-50(38(44)78)91-41-23(13-82-47-36(76)33(73)39(22(12-61)87-47)89-48-34(74)31(71)27(67)18(8-57)83-48)88-45(25(30(41)70)55-15(2)63)92-43-28(68)19(9-58)84-49(37(43)77)90-40-21(11-60)86-46(35(75)32(40)72)81-5-3-4-53/h16-50,56-61,64-78H,3-13,53H2,1-2H3,(H,54,62)(H,55,63)(H,79,80)/t16-,17+,18-,19+,20-,21+,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37+,38-,39-,40+,41-,42+,43-,44+,45+,46+,47-,48+,49-,50+,52-/m0/s1
InChIKey BWPFCSZNTMROBX-KRPWOUEESA-N
Mol Weight 1380.3 g/mol
Molecular Formula C52H89N3O39
Exact Mass 1379.50732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6VX08JfgaU
Name #1;3-AMINOPROPYL-O-5-(N-ACETAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTONON-2-ULOPYRANOSYL]-(2->3)-O-(BETA-D-GLUCOPYRANOSYL)-(1->4)-O-[(BETA-D-GLUCOPYRANOSYL)-(
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H89N3O39
InChI InChI=1S/C52H89N3O39/c1-14(62)54-24-16(64)6-52(51(79)80,93-42(24)26(66)17(65)7-56)94-44-29(69)20(10-59)85-50(38(44)78)91-41-23(13-82-47-36(76)33(73)39(22(12-61)87-47)89-48-34(74)31(71)27(67)18(8-57)83-48)88-45(25(30(41)70)55-15(2)63)92-43-28(68)19(9-58)84-49(37(43)77)90-40-21(11-60)86-46(35(75)32(40)72)81-5-3-4-53/h16-50,56-61,64-78H,3-13,53H2,1-2H3,(H,54,62)(H,55,63)(H,79,80)/t16-,17+,18-,19+,20-,21+,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37+,38-,39-,40+,41-,42+,43-,44+,45+,46+,47-,48+,49-,50+,52-/m0/s1
InChIKey BWPFCSZNTMROBX-KRPWOUEESA-N
Literature Reference Author A.V.DEMCHENKO,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,66,2547(2001)
Literature Reference DOI 10.1021/jo001477w
Molecular Weight 1380.275 g/mol
Solvent Unknown
Source File Reference UWLU26588