![#9;N-TETRACOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGE](/api/spectrum/7TGRbpehpdX/structure.png?h=300&w=458 "#9;N-TETRACOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGE")
| SpectraBase Compound ID | DKYbTFnXNgs |
|---|---|
| InChI | InChI=1S/C60H117N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-41-52(64)61-48(49(63)40-37-34-31-28-25-23-24-27-30-33-36-39-47(2)3)44-73-59-57(69)55(67)53(65)50(77-59)45-74-60-58(70)56(68)54(66)51(78-60)46-76-79(71,72)75-43-42-62(4,5)6/h37,40,47-51,53-60,63,65-70H,7-36,38-39,41-46H2,1-6H3,(H-,61,64,71,72)/b40-37+/t48-,49+,50+,51-,53-,54+,55-,56+,57+,58-,59+,60-/m1/s1 |
| InChIKey | JJRBXPCLZYTWSZ-NXRRJZMESA-N |
| Mol Weight | 1153.6 g/mol |
| Molecular Formula | C60H117N2O16P |
| Exact Mass | 1152.814073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TGRbpehpdX |
|---|---|
| Name | #9;N-TETRACOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H117N2O16P |
| InChI | InChI=1S/C60H117N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-41-52(64)61-48(49(63)40-37-34-31-28-25-23-24-27-30-33-36-39-47(2)3)44-73-59-57(69)55(67)53(65)50(77-59)45-74-60-58(70)56(68)54(66)51(78-60)46-76-79(71,72)75-43-42-62(4,5)6/h37,40,47-51,53-60,63,65-70H,7-36,38-39,41-46H2,1-6H3,(H-,61,64,71,72)/b40-37+/t48-,49+,50+,51-,53-,54+,55-,56+,57+,58-,59+,60-/m1/s1 |
| InChIKey | JJRBXPCLZYTWSZ-NXRRJZMESA-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 | 1153.567 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31329 |