| SpectraBase Compound ID | 8ph6LmbRB0S |
|---|---|
| InChI | InChI=1S/C42H58N12O15.2C2HF3O2/c1-17(19-5-3-2-4-6-19)27-37(66)48-21(11-18-7-9-20(57)10-8-18)36(65)52-28(30(59)22-12-46-41(43)50-22)39(68)53-29(38(67)49-23(15-55)35(64)45-14-26(58)51-27)31(60)24-13-47-42(44)54(24)40-34(63)33(62)32(61)25(16-56)69-40;2*3-2(4,5)1(6)7/h2-10,17,21-25,27-34,40,55-56,59-63H,11-16H2,1H3,(H12,43,44,45,46,47,48,49,50,51,52,53,57,58,64,65,66,67,68);2*(H,6,7)/t17-,21-,22-,23+,24-,25-,27+,28+,29-,30-,31-,32-,33+,34+,40+;;/m1../s1 |
| InChIKey | MPCVZGRMRZUTFR-IJSOKOKZSA-N |
| Mol Weight | 1199.041 g/mol |
| Molecular Formula | C46H60F6N12O19 |
| Exact Mass | 1198.400187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMgKEGwqCXc |
|---|---|
| Name | MANNOPEPTIMYCIN-BETA |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H60F6N12O19 |
| InChI | InChI=1S/C42H58N12O15.2C2HF3O2/c1-17(19-5-3-2-4-6-19)27-37(66)48-21(11-18-7-9-20(57)10-8-18)36(65)52-28(30(59)22-12-46-41(43)50-22)39(68)53-29(38(67)49-23(15-55)35(64)45-14-26(58)51-27)31(60)24-13-47-42(44)54(24)40-34(63)33(62)32(61)25(16-56)69-40;2*3-2(4,5)1(6)7/h2-10,17,21-25,27-34,40,55-56,59-63H,11-16H2,1H3,(H12,43,44,45,46,47,48,49,50,51,52,53,57,58,64,65,66,67,68);2*(H,6,7)/t17-,21-,22-,23+,24-,25-,27+,28+,29-,30-,31-,32-,33+,34+,40+;;/m1../s1 |
| InChIKey | MPCVZGRMRZUTFR-IJSOKOKZSA-N |
| Literature Reference Author | H.HE,R.T.WILLIAMSON,B.SHEN,E.I.GRAZIANI,H.Y.YANG,S.M.SAKYA,P .J.PETERSON,G.T.CART |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,9729(2002) |
| Literature Reference DOI | 10.1021/ja020257s |
| Molecular Weight | 1199.042 g/mol |
| Sample ID | 34136 |
| Solvent | CD3OD:D2O |