![6,6'-DITHIO-BIS-(HEXAN-1,6-DIYL)-BIS-[2-ACETAMIDO-2-DEOXY-3-O-(ALPHA-L-FUCOPYRANOSYL)-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/A8NaMj7jh3r/structure.png?h=300&w=458 "6,6'-DITHIO-BIS-(HEXAN-1,6-DIYL)-BIS-[2-ACETAMIDO-2-DEOXY-3-O-(ALPHA-L-FUCOPYRANOSYL)-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 7dlCSxnLZ0K |
|---|---|
| InChI | InChI=1S/C52H92N2O30S2/c1-21-31(61)35(65)39(69)49(75-21)83-45-29(53-23(3)59)47(79-27(19-57)43(45)81-51-41(71)37(67)33(63)25(17-55)77-51)73-13-9-5-7-11-15-85-86-16-12-8-6-10-14-74-48-30(54-24(4)60)46(84-50-40(70)36(66)32(62)22(2)76-50)44(28(20-58)80-48)82-52-42(72)38(68)34(64)26(18-56)78-52/h21-22,25-52,55-58,61-72H,5-20H2,1-4H3,(H,53,59)(H,54,60)/t21-,22+,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+,51+,52- |
| InChIKey | AAEXNIDZXNQUAV-CCBWYWMZSA-N |
| Mol Weight | 1289.4 g/mol |
| Molecular Formula | C52H92N2O30S2 |
| Exact Mass | 1288.517632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8NaMj7jh3r |
|---|---|
| Name | 6,6'-DITHIO-BIS-(HEXAN-1,6-DIYL)-BIS-[2-ACETAMIDO-2-DEOXY-3-O-(ALPHA-L-FUCOPYRANOSYL)-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H92N2O30S2 |
| InChI | InChI=1S/C52H92N2O30S2/c1-21-31(61)35(65)39(69)49(75-21)83-45-29(53-23(3)59)47(79-27(19-57)43(45)81-51-41(71)37(67)33(63)25(17-55)77-51)73-13-9-5-7-11-15-85-86-16-12-8-6-10-14-74-48-30(54-24(4)60)46(84-50-40(70)36(66)32(62)22(2)76-50)44(28(20-58)80-48)82-52-42(72)38(68)34(64)26(18-56)78-52/h21-22,25-52,55-58,61-72H,5-20H2,1-4H3,(H,53,59)(H,54,60)/t21-,22+,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+,51+,52- |
| InChIKey | AAEXNIDZXNQUAV-CCBWYWMZSA-N |
| Literature Reference Author | A.WANG,J.HENDEL,F.I.AUZANNEAU |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,17,1(2010) |
| Molecular Weight | 1289.418 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT10015 |