| SpectraBase Compound ID | 9uywqbp6YjR |
|---|---|
| InChI | InChI=1S/C32H45Cl3N2O18S.Na/c1-12(41)36-19-14(42)7-31(29(48)49,55-26(19)21(44)15(43)8-38)18-16(9-39)52-27(24(47)22(18)45)54-25-17(10-40)53-28(56-13-5-3-2-4-6-13)20(23(25)46)37-30(50)51-11-32(33,34)35;/h2-6,14-28,38-40,42-47H,7-11H2,1H3,(H,36,41)(H,37,50)(H,48,49);/q;+1/p-1/t14-,15+,16+,17-,18+,19+,20-,21+,22+,23-,24-,25-,26+,27+,28+,31-;/m0./s1 |
| InChIKey | DJHLGYVWBUCWCI-YVVOVYNVSA-M |
| Mol Weight | 906.1 g/mol |
| Molecular Formula | C32H44Cl3N2NaO18S |
| Exact Mass | 904.127311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hk8kwVXNo0P |
|---|---|
| Name | #7B;PHENYL-O-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLONATE)-(2->3)-O-(BETA-D-GALACTOPYRANOSYL)-(1->4)-2-DEOXY-1-THIO-2-(2,2, |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44Cl3N2NaO18S |
| InChI | InChI=1S/C32H45Cl3N2O18S.Na/c1-12(41)36-19-14(42)7-31(29(48)49,55-26(19)21(44)15(43)8-38)18-16(9-39)52-27(24(47)22(18)45)54-25-17(10-40)53-28(56-13-5-3-2-4-6-13)20(23(25)46)37-30(50)51-11-32(33,34)35;/h2-6,14-28,38-40,42-47H,7-11H2,1H3,(H,36,41)(H,37,50)(H,48,49);/q;+1/p-1/t14-,15+,16+,17-,18+,19+,20-,21+,22+,23-,24-,25-,26+,27+,28+,31-;/m0./s1 |
| InChIKey | DJHLGYVWBUCWCI-YVVOVYNVSA-M |
| Literature Reference Author | F.YAN,S.MEHTA,E.EICHLER,W.W.WAKARCHUK,M.GILBERT,M.J.SCHUR,D. M.WHITFIELD |
| Literature Reference Citation | J.ORG.CHEM.,68,2426(2003) |
| Literature Reference DOI | 10.1021/jo026569v |
| Molecular Weight | 906.113 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN25258 |