| SpectraBase Compound ID | EZ1mFKAU2KB |
|---|---|
| InChI | InChI=1S/C41H73NO18/c1-13-28-25(19-56-40-37(55-12)36(54-11)33(47)23(5)58-40)38(49)41(6,50)15-14-26(43)20(2)16-24(17-30(52-9)53-10)35(21(3)27(44)18-29(45)59-28)60-39-34(48)31(42(7,8)51)32(46)22(4)57-39/h14-15,20-25,27-28,30-40,44,46-50H,13,16-19H2,1-12H3/b15-14+/t20?,21?,22?,23?,24?,25?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38-,39+,40-,41-/m0/s1 |
| InChIKey | PUNPQDMFLJOQCJ-GSUAMIMRSA-N |
| Mol Weight | 868.0 g/mol |
| Molecular Formula | C41H73NO18 |
| Exact Mass | 867.482764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IE8EhmuYn2H |
|---|---|
| Name | 12,13-DIHYDRO-12,13-DIHYDROXY-DESMYCOSIN-(3'-N-OXIDE)-20-DIMETHYL-ACETAL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H73NO18 |
| InChI | InChI=1S/C41H73NO18/c1-13-28-25(19-56-40-37(55-12)36(54-11)33(47)23(5)58-40)38(49)41(6,50)15-14-26(43)20(2)16-24(17-30(52-9)53-10)35(21(3)27(44)18-29(45)59-28)60-39-34(48)31(42(7,8)51)32(46)22(4)57-39/h14-15,20-25,27-28,30-40,44,46-50H,13,16-19H2,1-12H3/b15-14+/t20?,21?,22?,23?,24?,25?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38-,39+,40-,41-/m0/s1 |
| InChIKey | PUNPQDMFLJOQCJ-GSUAMIMRSA-N |
| Literature Reference Author | Z.MANDIC,A.NARANDA,P.NOVAK,K.BRAJSA,M.DEREK,D.IVEKOVIC |
| Literature Reference Citation | J.ANTIBIOTICS,55,807(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.807 |
| Molecular Weight | 868.027 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7026 |