| SpectraBase Compound ID | FrrJTyb1KHO |
|---|---|
| InChI | InChI=1S/C29H43NO18S.Na/c1-11(34)30-17-13(35)7-29(28(42)43,47-24(17)18(37)14(36)8-31)48-25-19(38)15(9-32)44-26(22(25)41)46-23-16(10-33)45-27(21(40)20(23)39)49-12-5-3-2-4-6-12;/h2-6,13-27,31-33,35-41H,7-10H2,1H3,(H,30,34)(H,42,43);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19+,20-,21-,22-,23-,24+,25+,26+,27+,29-;/m0./s1 |
| InChIKey | NHPQSNIRKCNTIA-ABOWTIGASA-M |
| Mol Weight | 747.7 g/mol |
| Molecular Formula | C29H42NNaO18S |
| Exact Mass | 747.202029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lHwdRiO6Vn |
|---|---|
| Name | PHENYL-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42NNaO18S |
| InChI | InChI=1S/C29H43NO18S.Na/c1-11(34)30-17-13(35)7-29(28(42)43,47-24(17)18(37)14(36)8-31)48-25-19(38)15(9-32)44-26(22(25)41)46-23-16(10-33)45-27(21(40)20(23)39)49-12-5-3-2-4-6-12;/h2-6,13-27,31-33,35-41H,7-10H2,1H3,(H,30,34)(H,42,43);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19+,20-,21-,22-,23-,24+,25+,26+,27+,29-;/m0./s1 |
| InChIKey | NHPQSNIRKCNTIA-ABOWTIGASA-M |
| Literature Reference Author | S.MEHTA,M.GILBERT,W.W.WAKARCHUK,D.M.WHITFIELD |
| Literature Reference Citation | ORG.LETTERS,2,751(2000) |
| Literature Reference DOI | 10.1021/ol990406k |
| Molecular Weight | 747.698 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU33361 |