![METHYL-(SODIUM-(3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSYL)-ONATE)-(2-8)-(SODIUM-3-DEOXY-8-(R)-[8-2H]-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID)-ONATE](/api/spectrum/CrqtG2DGEKI/structure.png?h=300&w=458 "METHYL-(SODIUM-(3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSYL)-ONATE)-(2-8)-(SODIUM-3-DEOXY-8-(R)-[8-2H]-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID)-ONATE")
| SpectraBase Compound ID | 5T200YPZnIW |
|---|---|
| InChI | InChI=1S/C17H28O15.2Na/c1-29-16(14(25)26)2-6(19)11(24)13(31-16)9(22)5-30-17(15(27)28)3-7(20)10(23)12(32-17)8(21)4-18;;/h6-13,18-24H,2-5H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;;/m0../s1/i5D;;/t5-,6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;; |
| InChIKey | MPFZLQAVZKANFX-BXFRTALRSA-L |
| Mol Weight | 517.36564034 g/mol |
| Molecular Formula | C17H252HNa2O15 |
| Exact Mass | 517.112985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrqtG2DGEKI |
|---|---|
| Name | METHYL-(SODIUM-(3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSYL)-ONATE)-(2-8)-(SODIUM-3-DEOXY-8-(R)-[8-2H]-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID)-ONATE |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H252HNa2O15 |
| InChI | InChI=1S/C17H28O15.2Na/c1-29-16(14(25)26)2-6(19)11(24)13(31-16)9(22)5-30-17(15(27)28)3-7(20)10(23)12(32-17)8(21)4-18;;/h6-13,18-24H,2-5H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;;/m0../s1/i5D;;/t5-,6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;; |
| InChIKey | MPFZLQAVZKANFX-BXFRTALRSA-L |
| Literature Reference Author | P.KOSMA,M.STROBL,A.HOFINGER,J.O.DUUS,B.O.PETERSEN,K.BOCK,H.B RADE |
| Literature Reference Citation | MH.CHEM.,133,561(2002) |
| Literature Reference DOI | 10.1007/s007060200029 |
| Molecular Weight | 517.370 g/mol |
| Solvent | Unknown |
| Source File Reference | UWKP4409 |