![8-METHOXYCARBONYLOCTYL-4-O-[4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE;ASIALO-GM2-HAPTEN](/api/spectrum/4mLevdwxc55/structure.png?h=300&w=458 "8-METHOXYCARBONYLOCTYL-4-O-[4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE;ASIALO-GM2-HAPTEN")
| SpectraBase Compound ID | 1zW63jBiVTn |
|---|---|
| InChI | InChI=1S/C36H53NO19/c1-50-22(41)12-6-4-2-3-5-9-13-51-35-28(46)26(44)31(20(15-39)53-35)56-36-29(47)27(45)30(21(16-40)54-36)55-34-23(25(43)24(42)19(14-38)52-34)37-32(48)17-10-7-8-11-18(17)33(37)49/h7-8,10-11,19-21,23-31,34-36,38-40,42-47H,2-6,9,12-16H2,1H3/t19-,20+,21-,23-,24+,25-,26+,27-,28+,29-,30+,31+,34+,35+,36+/m0/s1 |
| InChIKey | RPHKTIKDWLYIRK-DQSNMTSRSA-N |
| Mol Weight | 803.8 g/mol |
| Molecular Formula | C36H53NO19 |
| Exact Mass | 803.321178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4mLevdwxc55 |
|---|---|
| Name | 8-METHOXYCARBONYLOCTYL-4-O-[4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE;ASIALO-GM2-HAPTEN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53NO19 |
| InChI | InChI=1S/C36H53NO19/c1-50-22(41)12-6-4-2-3-5-9-13-51-35-28(46)26(44)31(20(15-39)53-35)56-36-29(47)27(45)30(21(16-40)54-36)55-34-23(25(43)24(42)19(14-38)52-34)37-32(48)17-10-7-8-11-18(17)33(37)49/h7-8,10-11,19-21,23-31,34-36,38-40,42-47H,2-6,9,12-16H2,1H3/t19-,20+,21-,23-,24+,25-,26+,27-,28+,29-,30+,31+,34+,35+,36+/m0/s1 |
| InChIKey | RPHKTIKDWLYIRK-DQSNMTSRSA-N |
| Literature Reference Author | S.SABESAN,R.U.LEMIEUX |
| Literature Reference Citation | CAN.J.CHEM.,62,644(1984) |
| Literature Reference DOI | 10.1139/v84-108 |
| Molecular Weight | 803.812 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS7890 |