| SpectraBase Compound ID | 7tvVuNmwHfT |
|---|---|
| InChI | InChI=1S/C49H62N2O45S7.2Na/c1-22(52)50-30-34(32(92-99(64,65)66)28(20-82-97(58,59)60)85-46(30)84-27-16-14-26(79-3)15-17-27)87-48-42(95-102(73,74)75)36(80-18-24-10-6-4-7-11-24)38(40(90-48)44(54)55)89-47-31(51-23(2)53)35(33(93-100(67,68)69)29(86-47)21-83-98(61,62)63)88-49-43(96-103(76,77)78)37(81-19-25-12-8-5-9-13-25)39(94-101(70,71)72)41(91-49)45(56)57;;/h4-17,28-43,46-49H,18-21H2,1-3H3,(H,50,52)(H,51,53)(H,54,55)(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);;/q;2*+1/p-2/t28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,46-,47+,48+,49+;;/m0../s1 |
| InChIKey | UEMKMJJDPHMOIX-IEPAGAJUSA-L |
| Mol Weight | 1667.38753856 g/mol |
| Molecular Formula | C49H60N2Na2O45S7 |
| Exact Mass | 1666.030845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K41Ccb1xoZd |
|---|---|
| Name | #37-DISODIUM-SALT;4-METHOXYPHENYL-O-(3-O-BENZYL-2,4-DI-O-SULFO-BETA-D-GLUCOPYRANOSYLURONIC-ACID)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GAL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H60N2Na2O45S7 |
| InChI | InChI=1S/C49H62N2O45S7.2Na/c1-22(52)50-30-34(32(92-99(64,65)66)28(20-82-97(58,59)60)85-46(30)84-27-16-14-26(79-3)15-17-27)87-48-42(95-102(73,74)75)36(80-18-24-10-6-4-7-11-24)38(40(90-48)44(54)55)89-47-31(51-23(2)53)35(33(93-100(67,68)69)29(86-47)21-83-98(61,62)63)88-49-43(96-103(76,77)78)37(81-19-25-12-8-5-9-13-25)39(94-101(70,71)72)41(91-49)45(56)57;;/h4-17,28-43,46-49H,18-21H2,1-3H3,(H,50,52)(H,51,53)(H,54,55)(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);;/q;2*+1/p-2/t28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,46-,47+,48+,49+;;/m0../s1 |
| InChIKey | UEMKMJJDPHMOIX-IEPAGAJUSA-L |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1667.401 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU85337 |