| SpectraBase Compound ID | 12qjFzArJ5K |
|---|---|
| InChI | InChI=1S/C42H58NO18P.Na/c1-26(45)43-34-40(52-2)36(47)30(19-44)60-41(34)57-23-32(54-20-27-13-7-4-8-14-27)39(56-22-29-17-11-6-12-18-29)33(55-21-28-15-9-5-10-16-28)25-59-62(50,51)58-24-31-35(46)37(48)38(49)42(53-3)61-31;/h4-18,30-42,44,46-49H,19-25H2,1-3H3,(H,43,45)(H,50,51);/q;+1/p-1/t30-,31-,32?,33?,34-,35-,36+,37+,38-,39?,40-,41-,42-;/m0./s1 |
| InChIKey | ROAMJMPMWVDGOU-ZNAMUMBSSA-M |
| Mol Weight | 917.9 g/mol |
| Molecular Formula | C42H57NNaO18P |
| Exact Mass | 917.321095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlIEcNdHB82 |
|---|---|
| Name | SODIUM-(METHYL-BETA-D-GLUCOPYRANOSID-6-YL)-1-O-(2-ACETAMIDO-2-DEOXY-3-O-METHYL-BETA-D-GALACTOPYRANOSYL)-D-RIBITYL-PHOSPHATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H57NNaO18P |
| InChI | InChI=1S/C42H58NO18P.Na/c1-26(45)43-34-40(52-2)36(47)30(19-44)60-41(34)57-23-32(54-20-27-13-7-4-8-14-27)39(56-22-29-17-11-6-12-18-29)33(55-21-28-15-9-5-10-16-28)25-59-62(50,51)58-24-31-35(46)37(48)38(49)42(53-3)61-31;/h4-18,30-42,44,46-49H,19-25H2,1-3H3,(H,43,45)(H,50,51);/q;+1/p-1/t30-,31-,32?,33?,34-,35-,36+,37+,38-,39?,40-,41-,42-;/m0./s1 |
| InChIKey | ROAMJMPMWVDGOU-ZNAMUMBSSA-M |
| Literature Reference Author | H.QIN,T.B.GRINDLEY |
| Literature Reference Citation | CAN.J.CHEM.,77,481(1999) |
| Literature Reference DOI | 10.1139/cjc-77-4-481 |
| Molecular Weight | 917.874 g/mol |
| Solvent | D2O |