![8-METHOXYCARBONYLOCTYL-4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE;COM](/api/spectrum/3qPhEQbSLpS/structure.png?h=300&w=458 "8-METHOXYCARBONYLOCTYL-4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE;COM")
| SpectraBase Compound ID | EJOoxGVU1Db |
|---|---|
| InChI | InChI=1S/C36H63NO23/c1-15(42)37-21-32(60-35-27(49)24(46)22(44)16(11-38)55-35)23(45)17(12-39)54-33(21)58-30-19(14-41)57-36(29(51)26(30)48)59-31-18(13-40)56-34(28(50)25(31)47)53-10-8-6-4-3-5-7-9-20(43)52-2/h16-19,21-36,38-41,44-51H,3-14H2,1-2H3,(H,37,42)/t16-,17-,18-,19-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30+,31-,32-,33+,34-,35+,36+/m1/s1 |
| InChIKey | QPBXUJLIEUUJND-LXJGXWPQSA-N |
| Mol Weight | 877.9 g/mol |
| Molecular Formula | C36H63NO23 |
| Exact Mass | 877.379087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qPhEQbSLpS |
|---|---|
| Name | 8-METHOXYCARBONYLOCTYL-4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H63NO23 |
| InChI | InChI=1S/C36H63NO23/c1-15(42)37-21-32(60-35-27(49)24(46)22(44)16(11-38)55-35)23(45)17(12-39)54-33(21)58-30-19(14-41)57-36(29(51)26(30)48)59-31-18(13-40)56-34(28(50)25(31)47)53-10-8-6-4-3-5-7-9-20(43)52-2/h16-19,21-36,38-41,44-51H,3-14H2,1-2H3,(H,37,42)/t16-,17-,18-,19-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30+,31-,32-,33+,34-,35+,36+/m1/s1 |
| InChIKey | QPBXUJLIEUUJND-LXJGXWPQSA-N |
| Literature Reference Author | S.SABESAN,K.BOCK,R.U.LEMIEUX |
| Literature Reference Citation | CAN.J.CHEM.,62,1034(1984) |
| Literature Reference DOI | 10.1139/v84-172 |
| Molecular Weight | 877.889 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS8696 |