![LMG-3;1-O-[8-O-METHYL-(N-ACETYL-ALPHA-D-NEURAMINOSYL)-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-CERAMIDE](/api/spectrum/4egadoxA438/structure.png?h=300&w=458 "LMG-3;1-O-[8-O-METHYL-(N-ACETYL-ALPHA-D-NEURAMINOSYL)-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-CERAMIDE")
| SpectraBase Compound ID | GivnzFJ6UuB |
|---|---|
| InChI | InChI=1S/C65H120N2O22/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-47(73)61(80)67-45(46(72)37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2)43-84-62-56(78)55(77)58(51(42-70)86-62)87-63-57(79)60(54(76)50(41-69)85-63)89-65(64(81)82)39-48(74)52(66-44(3)71)59(88-65)53(75)49(40-68)83-4/h35,37,45-60,62-63,68-70,72-79H,5-34,36,38-43H2,1-4H3,(H,66,71)(H,67,80)(H,81,82)/b37-35+/t45-,46+,47-,48-,49?,50-,51-,52+,53?,54+,55-,56-,57-,58-,59+,60+,62-,63+,65-/m0/s1 |
| InChIKey | HRWOQOIKJANZFW-RCTYWWPASA-N |
| Mol Weight | 1281.7 g/mol |
| Molecular Formula | C65H120N2O22 |
| Exact Mass | 1280.833273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4egadoxA438 |
|---|---|
| Name | LMG-3;1-O-[8-O-METHYL-(N-ACETYL-ALPHA-D-NEURAMINOSYL)-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-CERAMIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H120N2O22 |
| InChI | InChI=1S/C65H120N2O22/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-47(73)61(80)67-45(46(72)37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2)43-84-62-56(78)55(77)58(51(42-70)86-62)87-63-57(79)60(54(76)50(41-69)85-63)89-65(64(81)82)39-48(74)52(66-44(3)71)59(88-65)53(75)49(40-68)83-4/h35,37,45-60,62-63,68-70,72-79H,5-34,36,38-43H2,1-4H3,(H,66,71)(H,67,80)(H,81,82)/b37-35+/t45-,46+,47-,48-,49?,50-,51-,52+,53?,54+,55-,56-,57-,58-,59+,60+,62-,63+,65-/m0/s1 |
| InChIKey | HRWOQOIKJANZFW-RCTYWWPASA-N |
| Literature Reference Author | S.KAWATAKE,M.INAGAKI,R.ISOBE,T.MIYAMOTO,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,1386(2002) |
| Literature Reference DOI | 10.1248/cpb.50.1386 |
| Molecular Weight | 1281.668 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20318 |