![CYClIC-[O-(BETA-D-GLUCOPYRANOSYL)-SER-(53)]-HBF-IX(51-56)](/api/spectrum/E9hXJ3BCClb/structure.png?h=300&w=458 "CYClIC-[O-(BETA-D-GLUCOPYRANOSYL)-SER-(53)]-HBF-IX(51-56)")
| SpectraBase Compound ID | AZm2CvR1aWh |
|---|---|
| InChI | InChI=1S/C29H45N7O16S2/c30-11-9-53-54-10-15(28(49)50)35-26(47)16-2-1-5-36(16)27(48)13(6-18(31)38)33-25(46)14(34-24(45)12(32-23(11)44)3-4-19(39)40)8-51-29-22(43)21(42)20(41)17(7-37)52-29/h11-17,20-22,29,37,41-43H,1-10,30H2,(H2,31,38)(H,32,44)(H,33,46)(H,34,45)(H,35,47)(H,39,40)(H,49,50)/t11?,12?,13?,14?,15?,16?,17-,20-,21+,22-,29-/m1/s1 |
| InChIKey | YNURRGVGHAZKGF-SSFGFFEQSA-N |
| Mol Weight | 811.8 g/mol |
| Molecular Formula | C29H45N7O16S2 |
| Exact Mass | 811.236421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9hXJ3BCClb |
|---|---|
| Name | CYClIC-[O-(BETA-D-GLUCOPYRANOSYL)-SER-(53)]-HBF-IX(51-56) |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H45N7O16S2 |
| InChI | InChI=1S/C29H45N7O16S2/c30-11-9-53-54-10-15(28(49)50)35-26(47)16-2-1-5-36(16)27(48)13(6-18(31)38)33-25(46)14(34-24(45)12(32-23(11)44)3-4-19(39)40)8-51-29-22(43)21(42)20(41)17(7-37)52-29/h11-17,20-22,29,37,41-43H,1-10,30H2,(H2,31,38)(H,32,44)(H,33,46)(H,34,45)(H,35,47)(H,39,40)(H,49,50)/t11?,12?,13?,14?,15?,16?,17-,20-,21+,22-,29-/m1/s1 |
| InChIKey | YNURRGVGHAZKGF-SSFGFFEQSA-N |
| Literature Reference Author | K.B.REIMER,M.MELDAL,S.KUSUMOTO,K.FUKASE,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,925(1993) |
| Literature Reference DOI | 10.1039/p19930000925 |
| Molecular Weight | 811.834 g/mol |
| Solvent | D2O,PD=6.0 |
| Source File Reference | UWCS19442 |