| SpectraBase Compound ID | 8UnsBuL2Odu |
|---|---|
| InChI | InChI=1S/C45H81N2O12P.C6H15N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(49)55-34-38(58-43(50)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-56-60(53,54)57-36-40-39(48)32-41(59-40)47-33-37(3)44(51)46-45(47)52;1-4-7(5-2)6-3/h33,38-41,48H,4-32,34-36H2,1-3H3,(H,53,54)(H,46,51,52);4-6H2,1-3H3/t38?,39-,40+,41+;/m0./s1 |
| InChIKey | OLINZLHMRUJDQM-YXDGPKDGSA-N |
| Mol Weight | 974.3 g/mol |
| Molecular Formula | C51H96N3O12P |
| Exact Mass | 973.673163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GykKXc5bMti |
|---|---|
| Name | 5'-O-(1,2-DI-O-PALMIOTYL-SN-GLYCERO-3-PHOSPHO)-2'-DEOXYTHYMIDINE |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H96N3O12P |
| InChI | InChI=1S/C45H81N2O12P.C6H15N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(49)55-34-38(58-43(50)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-56-60(53,54)57-36-40-39(48)32-41(59-40)47-33-37(3)44(51)46-45(47)52;1-4-7(5-2)6-3/h33,38-41,48H,4-32,34-36H2,1-3H3,(H,53,54)(H,46,51,52);4-6H2,1-3H3/t38?,39-,40+,41+;/m0./s1 |
| InChIKey | OLINZLHMRUJDQM-YXDGPKDGSA-N |
| Literature Reference Author | J.J.OLTVOORT,G.A.VANDERMAREL,C.A.A.VANBOECKEL,J.H.VANBOOM |
| Literature Reference Citation | REC.TR.CH.P.-B.,102,523(1983) |
| Literature Reference DOI | 10.1002/recl.19831021207 |
| Molecular Weight | 974.310 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS7736 |