![#6;N-TRICOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENI](/api/spectrum/8L646qhxgge/structure.png?h=300&w=458 "#6;N-TRICOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENI")
| SpectraBase Compound ID | AFqZZzr9OKV |
|---|---|
| InChI | InChI=1S/C59H115N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-51(63)60-47(48(62)39-36-33-30-27-24-22-23-26-29-32-35-38-46(2)3)43-72-58-56(68)54(66)52(64)49(76-58)44-73-59-57(69)55(67)53(65)50(77-59)45-75-78(70,71)74-42-41-61(4,5)6/h36,39,46-50,52-59,62,64-69H,7-35,37-38,40-45H2,1-6H3,(H-,60,63,70,71)/b39-36+/t47-,48+,49+,50-,52-,53+,54-,55+,56+,57-,58+,59-/m1/s1 |
| InChIKey | JRTRFCPSACKMSR-PQZHQRQGSA-N |
| Mol Weight | 1139.5 g/mol |
| Molecular Formula | C59H115N2O16P |
| Exact Mass | 1138.798423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8L646qhxgge |
|---|---|
| Name | #6;N-TRICOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H115N2O16P |
| InChI | InChI=1S/C59H115N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-51(63)60-47(48(62)39-36-33-30-27-24-22-23-26-29-32-35-38-46(2)3)43-72-58-56(68)54(66)52(64)49(76-58)44-73-59-57(69)55(67)53(65)50(77-59)45-75-78(70,71)74-42-41-61(4,5)6/h36,39,46-50,52-59,62,64-69H,7-35,37-38,40-45H2,1-6H3,(H-,60,63,70,71)/b39-36+/t47-,48+,49+,50-,52-,53+,54-,55+,56+,57-,58+,59-/m1/s1 |
| InChIKey | JRTRFCPSACKMSR-PQZHQRQGSA-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 | 1139.540 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31326 |