| SpectraBase Compound ID | ImI9llaZOHV |
|---|---|
| InChI | InChI=1S/C62H83N7O32/c1-20-26(7-38(96-20)51(84)45(78)32(70)13-63)57(90)64-14-33(71)46(79)52(85)39-8-27(21(2)97-39)58(91)65-15-34(72)47(80)53(86)40-9-28(22(3)98-40)59(92)66-16-35(73)48(81)54(87)41-10-29(23(4)99-41)60(93)67-17-36(74)49(82)55(88)42-11-30(24(5)100-42)61(94)68-18-37(75)50(83)56(89)43-12-31(25(6)101-43)62(95)69-19-44(76)77/h7-12,32-37,45-56,70-75,78-89H,13-19,63H2,1-6H3,(H,64,90)(H,65,91)(H,66,92)(H,67,93)(H,68,94)(H,69,95)(H,76,77)/t32-,33+,34-,35+,36-,37-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54+,55-,56-/m0/s1 |
| InChIKey | NQYCBYKLOWVQLH-GTZXWEERSA-N |
| Mol Weight | 1438.4 g/mol |
| Molecular Formula | C62H83N7O32 |
| Exact Mass | 1437.508264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUi9MlBDDKD |
|---|---|
| Name | #38;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-TETRIT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H83N7O32 |
| InChI | InChI=1S/C62H83N7O32/c1-20-26(7-38(96-20)51(84)45(78)32(70)13-63)57(90)64-14-33(71)46(79)52(85)39-8-27(21(2)97-39)58(91)65-15-34(72)47(80)53(86)40-9-28(22(3)98-40)59(92)66-16-35(73)48(81)54(87)41-10-29(23(4)99-41)60(93)67-17-36(74)49(82)55(88)42-11-30(24(5)100-42)61(94)68-18-37(75)50(83)56(89)43-12-31(25(6)101-43)62(95)69-19-44(76)77/h7-12,32-37,45-56,70-75,78-89H,13-19,63H2,1-6H3,(H,64,90)(H,65,91)(H,66,92)(H,67,93)(H,68,94)(H,69,95)(H,76,77)/t32-,33+,34-,35+,36-,37-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54+,55-,56-/m0/s1 |
| InChIKey | NQYCBYKLOWVQLH-GTZXWEERSA-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 | 1438.369 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU23362 |