| SpectraBase Compound ID | ArBIdRiCjSR |
|---|---|
| InChI | InChI=1S/C29H51NO18/c1-42-15(33)9-7-5-3-4-6-8-10-44-27-16(30-26(41)25-21(38)20(37)22(39)28(43-2)48-25)18(35)24(14(12-32)46-27)47-29-23(40)19(36)17(34)13(11-31)45-29/h13-14,16-25,27-29,31-32,34-40H,3-12H2,1-2H3,(H,30,41)/t13-,14-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,27-,28-,29+/m1/s1 |
| InChIKey | HHGQOZQKAPSGJJ-LSYLKBAYSA-N |
| Mol Weight | 701.7 g/mol |
| Molecular Formula | C29H51NO18 |
| Exact Mass | 701.310614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uTAsWvCtsq |
|---|---|
| Name | 8-METHOXYCARBONYLOCTYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(METHYL-ALPHA-D-MANNOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H51NO18 |
| InChI | InChI=1S/C29H51NO18/c1-42-15(33)9-7-5-3-4-6-8-10-44-27-16(30-26(41)25-21(38)20(37)22(39)28(43-2)48-25)18(35)24(14(12-32)46-27)47-29-23(40)19(36)17(34)13(11-31)45-29/h13-14,16-25,27-29,31-32,34-40H,3-12H2,1-2H3,(H,30,41)/t13-,14-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,27-,28-,29+/m1/s1 |
| InChIKey | HHGQOZQKAPSGJJ-LSYLKBAYSA-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 | 701.720 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS21993 |