| SpectraBase Compound ID | IrBJRLSzRte |
|---|---|
| InChI | InChI=1S/C30H53NO17/c1-14-20(36)22(38)24(40)29(44-14)47-26-17(13-33)46-28(43-11-9-7-5-4-6-8-10-18(35)42-3)19(31-15(2)34)27(26)48-30-25(41)23(39)21(37)16(12-32)45-30/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16-,17-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | RAWIMSUPKCBBKH-CSCFLUHESA-N |
| Mol Weight | 699.7 g/mol |
| Molecular Formula | C30H53NO17 |
| Exact Mass | 699.331349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJ6pW4iEuYU |
|---|---|
| Name | -(8'-Methoxycarbonyl-octyl)-2-acetamido-2-deoxy-4-O-(A-L-fucopyranosyl)-3-O-(B-D-galactopyranosyl)-B-D-glucopyranoside |
| CAS Registry Number | 56343-02-3 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H53NO17 |
| InChI | InChI=1S/C30H53NO17/c1-14-20(36)22(38)24(40)29(44-14)47-26-17(13-33)46-28(43-11-9-7-5-4-6-8-10-18(35)42-3)19(31-15(2)34)27(26)48-30-25(41)23(39)21(37)16(12-32)45-30/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16-,17-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | RAWIMSUPKCBBKH-CSCFLUHESA-N |
| 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 |