![#1;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-15-METHYLHEXADECASPHINGENIN](/api/spectrum/LHPWdpB84yM/structure.png?h=300&w=458 "#1;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-15-METHYLHEXADECASPHINGENIN")
| SpectraBase Compound ID | 5SIRTO1DPFW |
|---|---|
| InChI | InChI=1S/C56H109N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-48(60)57-44(45(59)36-33-30-27-24-22-23-26-29-32-35-43(2)3)40-69-55-53(65)51(63)49(61)46(73-55)41-70-56-54(66)52(64)50(62)47(74-56)42-72-75(67,68)71-39-38-58(4,5)6/h33,36,43-47,49-56,59,61-66H,7-32,34-35,37-42H2,1-6H3,(H-,57,60,67,68)/b36-33+/t44-,45+,46+,47-,49-,50+,51-,52+,53+,54-,55+,56-/m1/s1 |
| InChIKey | SDJHHNKYFODYNM-FHFBLTLDSA-N |
| Mol Weight | 1097.5 g/mol |
| Molecular Formula | C56H109N2O16P |
| Exact Mass | 1096.751472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHPWdpB84yM |
|---|---|
| Name | #1;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-15-METHYLHEXADECASPHINGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H109N2O16P |
| InChI | InChI=1S/C56H109N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-48(60)57-44(45(59)36-33-30-27-24-22-23-26-29-32-35-43(2)3)40-69-55-53(65)51(63)49(61)46(73-55)41-70-56-54(66)52(64)50(62)47(74-56)42-72-75(67,68)71-39-38-58(4,5)6/h33,36,43-47,49-56,59,61-66H,7-32,34-35,37-42H2,1-6H3,(H-,57,60,67,68)/b36-33+/t44-,45+,46+,47-,49-,50+,51-,52+,53+,54-,55+,56-/m1/s1 |
| InChIKey | SDJHHNKYFODYNM-FHFBLTLDSA-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 | 1097.459 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31322 |