![AC-THR-[ALPHA-D-MAN-6-P-(1,6)-ALPHA-D-MAN]-LYS-THR-NH2](/api/spectrum/6Yk90GZlTfK/structure.png?h=300&w=458 "AC-THR-[ALPHA-D-MAN-6-P-(1,6)-ALPHA-D-MAN]-LYS-THR-NH2")
| SpectraBase Compound ID | B3a39lp0SDm |
|---|---|
| InChI | InChI=1S/C28H52N5O19P.C2HF3O2/c1-10(34)16(24(30)42)33-25(43)13(6-4-5-7-29)32-26(44)17(31-12(3)35)11(2)50-28-23(41)21(39)18(36)14(52-28)8-48-27-22(40)20(38)19(37)15(51-27)9-49-53(45,46)47;3-2(4,5)1(6)7/h10-11,13-23,27-28,34,36-41H,4-9,29H2,1-3H3,(H2,30,42)(H,31,35)(H,32,44)(H,33,43)(H2,45,46,47);(H,6,7)/t10-,11+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22+,23-,27+,28-;/m1./s1 |
| InChIKey | OBOLDPKOUIJMPB-YKGIUHGYSA-N |
| Mol Weight | 907.7 g/mol |
| Molecular Formula | C30H53F3N5O21P |
| Exact Mass | 907.292275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Yk90GZlTfK |
|---|---|
| Name | AC-THR-[ALPHA-D-MAN-6-P-(1,6)-ALPHA-D-MAN]-LYS-THR-NH2 |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H51F3N5O21P |
| InChI | InChI=1S/C28H52N5O19P.C2HF3O2/c1-10(34)16(24(30)42)33-25(43)13(6-4-5-7-29)32-26(44)17(31-12(3)35)11(2)50-28-23(41)21(39)18(36)14(52-28)8-48-27-22(40)20(38)19(37)15(51-27)9-49-53(45,46)47;3-2(4,5)1(6)7/h10-11,13-23,27-28,34,36-41H,4-9,29H2,1-3H3,(H2,30,42)(H,31,35)(H,32,44)(H,33,43)(H2,45,46,47);(H,6,7)/t10-,11+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22+,23-,27+,28-;/m1./s1 |
| InChIKey | OBOLDPKOUIJMPB-YKGIUHGYSA-N |
| Literature Reference Author | M.K.CHRISTENSEN,M.MELDAL,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1453(1993) |
| Literature Reference DOI | 10.1039/p19930001453 |
| Molecular Weight | 905.725 g/mol |
| Solvent | D2O:ACETONE-D6=1:1 |
| Source File Reference | UWCP6269 |