![AC-THR-[ALPHA-D-MAN-6-P-(1,2)-ALPHA-D-MAN]-LYS-THR-NH2](/api/spectrum/BmtFxWCVfXt/structure.png?h=300&w=458 "AC-THR-[ALPHA-D-MAN-6-P-(1,2)-ALPHA-D-MAN]-LYS-THR-NH2")
| SpectraBase Compound ID | KWzXZM2K9Op |
|---|---|
| InChI | InChI=1S/C28H52N5O19P.C2HF3O2/c1-10(35)16(24(30)42)33-25(43)13(6-4-5-7-29)32-26(44)17(31-12(3)36)11(2)49-28-23(21(40)19(38)15(51-28)9-48-53(45,46)47)52-27-22(41)20(39)18(37)14(8-34)50-27;3-2(4,5)1(6)7/h10-11,13-23,27-28,34-35,37-41H,4-9,29H2,1-3H3,(H2,30,42)(H,31,36)(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-;/m0./s1 |
| InChIKey | MVZQVCFGQOHYRO-MVDPZOMGSA-N |
| Mol Weight | 907.7 g/mol |
| Molecular Formula | C30H53F3N5O21P |
| Exact Mass | 907.292275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BmtFxWCVfXt |
|---|---|
| Name | AC-THR-[ALPHA-D-MAN-6-P-(1,2)-ALPHA-D-MAN]-LYS-THR-NH2 |
| Compound Number | 16 |
| 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(35)16(24(30)42)33-25(43)13(6-4-5-7-29)32-26(44)17(31-12(3)36)11(2)49-28-23(21(40)19(38)15(51-28)9-48-53(45,46)47)52-27-22(41)20(39)18(37)14(8-34)50-27;3-2(4,5)1(6)7/h10-11,13-23,27-28,34-35,37-41H,4-9,29H2,1-3H3,(H2,30,42)(H,31,36)(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-;/m0./s1 |
| InChIKey | MVZQVCFGQOHYRO-MVDPZOMGSA-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 | UWCP6270 |