![9-(2-Acetamido-2-deoxy-4-O-[A-L-fucopyranosyl]-3-O-[B-D-galactopyranosyl]-B-D-glucopyranosid-1-O-yl)-nonanoate](/api/spectrum/GHFeqHBcBS6/structure.png?h=300&w=458 "9-(2-Acetamido-2-deoxy-4-O-[A-L-fucopyranosyl]-3-O-[B-D-galactopyranosyl]-B-D-glucopyranosid-1-O-yl)-nonanoate")
| SpectraBase Compound ID | Jq3Px0XoVhB |
|---|---|
| InChI | InChI=1S/C29H51NO17/c1-13-19(36)21(38)23(40)28(43-13)46-25-16(12-32)45-27(42-10-8-6-4-3-5-7-9-17(34)35)18(30-14(2)33)26(25)47-29-24(41)22(39)20(37)15(11-31)44-29/h13,15-16,18-29,31-32,36-41H,3-12H2,1-2H3,(H,30,33)(H,34,35)/p-1/t13-,15-,16-,18-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1 |
| InChIKey | NACFSUOFPYONFI-LSEIKZPDSA-M |
| Mol Weight | 684.7 g/mol |
| Molecular Formula | C29H50NO17 |
| Exact Mass | 684.307874 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHFeqHBcBS6 |
|---|---|
| Name | 9-(2-Acetamido-2-deoxy-4-O-[A-L-fucopyranosyl]-3-O-[B-D-galactopyranosyl]-B-D-glucopyranosid-1-O-yl)-nonanoate |
| Comments | SODIUM SALT, REASSIGNED (A.H.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H50NO17 |
| InChI | InChI=1S/C29H51NO17/c1-13-19(36)21(38)23(40)28(43-13)46-25-16(12-32)45-27(42-10-8-6-4-3-5-7-9-17(34)35)18(30-14(2)33)26(25)47-29-24(41)22(39)20(37)15(11-31)44-29/h13,15-16,18-29,31-32,36-41H,3-12H2,1-2H3,(H,30,33)(H,34,35)/p-1/t13-,15-,16-,18-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1 |
| InChIKey | NACFSUOFPYONFI-LSEIKZPDSA-M |
| Instrument Name | Bruker HX-10 |
| Literature Reference | R.U. Lemieux, D.R. Bundle, D.A.Baker, J. Am. Chem. Soc. 97, 4076 (1975). |
| NMR Standard | TMS Ext. |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |