![#4;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-OCTADECASPHINGENINE](/api/spectrum/4dTst12G3Xt/structure.png?h=300&w=458 "#4;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-OCTADECASPHINGENINE")
| SpectraBase Compound ID | GWjg1xNhDvV |
|---|---|
| InChI | InChI=1S/C58H113N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-39-50(62)59-46(47(61)38-35-32-29-26-23-21-22-25-28-31-34-37-45(2)3)42-71-57-55(67)53(65)51(63)48(75-57)43-72-58-56(68)54(66)52(64)49(76-58)44-74-77(69,70)73-41-40-60(4,5)6/h35,38,45-49,51-58,61,63-68H,7-34,36-37,39-44H2,1-6H3,(H-,59,62,69,70)/b38-35+/t46-,47+,48+,49-,51-,52+,53-,54+,55+,56-,57+,58-/m1/s1 |
| InChIKey | GHPSWABHZNPHJJ-GCIOAMLLSA-N |
| Mol Weight | 1125.5 g/mol |
| Molecular Formula | C58H113N2O16P |
| Exact Mass | 1124.782773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dTst12G3Xt |
|---|---|
| Name | #4;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-OCTADECASPHINGENINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H113N2O16P |
| InChI | InChI=1S/C58H113N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-39-50(62)59-46(47(61)38-35-32-29-26-23-21-22-25-28-31-34-37-45(2)3)42-71-57-55(67)53(65)51(63)48(75-57)43-72-58-56(68)54(66)52(64)49(76-58)44-74-77(69,70)73-41-40-60(4,5)6/h35,38,45-49,51-58,61,63-68H,7-34,36-37,39-44H2,1-6H3,(H-,59,62,69,70)/b38-35+/t46-,47+,48+,49-,51-,52+,53-,54+,55+,56-,57+,58-/m1/s1 |
| InChIKey | GHPSWABHZNPHJJ-GCIOAMLLSA-N |
| Literature Reference Author | R.TANAKA,K.MIYAHARA,N.NODA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1152(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1152 |
| Molecular Weight | 1125.513 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31324 |