| SpectraBase Compound ID | JwCNK0KvbZq |
|---|---|
| InChI | InChI=1S/C18H31O17P.Na/c1-2-3-31-18(17(26)27)4-9(15(35-36(28,29)30)14(34-18)8(22)6-20)32-16-12(25)10(23)11(24)13(33-16)7(21)5-19;/h2,7-16,19-25H,1,3-6H2,(H,26,27)(H2,28,29,30);/q;+1/p-1/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,18+;/m0./s1 |
| InChIKey | PQSHTYWKHBHMIA-FZMUHORQSA-M |
| Mol Weight | 572.38 g/mol |
| Molecular Formula | C18H30NaO17P |
| Exact Mass | 572.111831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOddfDhya96 |
|---|---|
| Name | ALLYL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1'->4)-(3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDONIC-ACID-5-(SODIUM-HYDROGEN-PHOSPHATE) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H29NaO17P |
| InChI | InChI=1S/C18H31O17P.Na/c1-2-3-31-18(17(26)27)4-9(15(35-36(28,29)30)14(34-18)8(22)6-20)32-16-12(25)10(23)11(24)13(33-16)7(21)5-19;/h2,7-16,19-25H,1,3-6H2,(H,26,27)(H2,28,29,30);/q;+1/p-1/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,18+;/m0./s1 |
| InChIKey | PQSHTYWKHBHMIA-FZMUHORQSA-M |
| Literature Reference Author | H.SEKLJIC,N.WIMMER,A.HOFINGER,H.BRADE,P.KOSMA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1973(1997) |
| Literature Reference DOI | 10.1039/a700497d |
| Molecular Weight | 571.382 g/mol |
| Solvent | PD=7,5-8,5 |
| Source File Reference | UWRU7768 |