| SpectraBase Compound ID | xwqMQn3U55 |
|---|---|
| InChI | InChI=1S/C42H57N5O22/c1-14-18(5-26(66-14)35(58)31(54)22(48)9-43)39(62)44-10-23(49)32(55)36(59)27-6-19(15(2)67-27)40(63)45-11-24(50)33(56)37(60)28-7-20(16(3)68-28)41(64)46-12-25(51)34(57)38(61)29-8-21(17(4)69-29)42(65)47-13-30(52)53/h5-8,22-25,31-38,48-51,54-61H,9-13,43H2,1-4H3,(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,52,53)/t22-,23+,24-,25-,31-,32+,33-,34-,35-,36+,37-,38-/m0/s1 |
| InChIKey | BPJYWPNJUSMCBN-WDDRDFCOSA-N |
| Mol Weight | 983.9 g/mol |
| Molecular Formula | C42H57N5O22 |
| Exact Mass | 983.349518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bd0zrfMSjRZ |
|---|---|
| Name | #36;2-[5-(4'-AMINO-4'-DEOXY-D-ARABINO-TETRITOL-1'-YL)-2-METHYL-3-FURAMIDE-(N->4')-5-(D-ARABINO-TETRITOL-1'-YL)-2-METHYL-3-FURAMIDE-(N->4')-5-(D-ARABINO-TETRITO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H57N5O22 |
| InChI | InChI=1S/C42H57N5O22/c1-14-18(5-26(66-14)35(58)31(54)22(48)9-43)39(62)44-10-23(49)32(55)36(59)27-6-19(15(2)67-27)40(63)45-11-24(50)33(56)37(60)28-7-20(16(3)68-28)41(64)46-12-25(51)34(57)38(61)29-8-21(17(4)69-29)42(65)47-13-30(52)53/h5-8,22-25,31-38,48-51,54-61H,9-13,43H2,1-4H3,(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,52,53)/t22-,23+,24-,25-,31-,32+,33-,34-,35-,36+,37-,38-/m0/s1 |
| InChIKey | BPJYWPNJUSMCBN-WDDRDFCOSA-N |
| Literature Reference Author | A.J.M.VARGAS,J.J.BARBERO,I.ROBINA |
| Literature Reference Citation | J.ORG.CHEM.,68,4138(2003) |
| Literature Reference DOI | 10.1021/jo026631o |
| Molecular Weight | 983.935 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU23360 |