| SpectraBase Compound ID | 9wWzL5c1Jlv |
|---|---|
| InChI | InChI=1S/C35H61NO23/c1-51-17(40)9-7-5-3-4-6-8-10-53-32-18(36-31(50)30-24(46)23(45)25(47)33(52-2)59-30)21(43)28(16(13-39)56-32)57-35-27(49)29(20(42)15(12-38)55-35)58-34-26(48)22(44)19(41)14(11-37)54-34/h14-16,18-30,32-35,37-39,41-49H,3-13H2,1-2H3,(H,36,50)/t14-,15-,16-,18-,19+,20+,21-,22+,23-,24-,25+,26-,27-,28-,29+,30-,32-,33+,34-,35+/m1/s1 |
| InChIKey | LOXSLUQWFNBQHX-YBDNLLQHSA-N |
| Mol Weight | 863.9 g/mol |
| Molecular Formula | C35H61NO23 |
| Exact Mass | 863.363437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7N8hoyf5M1q |
|---|---|
| Name | #8A;8-METHOXYCARBONYLOCTYL-ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(METHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H61NO23 |
| InChI | InChI=1S/C35H61NO23/c1-51-17(40)9-7-5-3-4-6-8-10-53-32-18(36-31(50)30-24(46)23(45)25(47)33(52-2)59-30)21(43)28(16(13-39)56-32)57-35-27(49)29(20(42)15(12-38)55-35)58-34-26(48)22(44)19(41)14(11-37)54-34/h14-16,18-30,32-35,37-39,41-49H,3-13H2,1-2H3,(H,36,50)/t14-,15-,16-,18-,19+,20+,21-,22+,23-,24-,25+,26-,27-,28-,29+,30-,32-,33+,34-,35+/m1/s1 |
| InChIKey | LOXSLUQWFNBQHX-YBDNLLQHSA-N |
| Literature Reference Author | O.SCHWARDT,G.BAISCH,R.OEHRLEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1857(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00086-4 |
| Molecular Weight | 863.862 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS22007 |