| SpectraBase Compound ID | 1mBtJiryQhC |
|---|---|
| InChI | InChI=1S/C40H69NO16/c1-12-26-24(18-52-39-36(51-11)35(50-10)32(45)22(5)54-39)37(47)40(6)14-13-25(42)19(2)15-23(16-29(48-8)49-9)34(20(3)27(57-40)17-28(43)55-26)56-38-33(46)30(41-7)31(44)21(4)53-38/h13-14,19-24,26-27,29-39,41,44-47H,12,15-18H2,1-11H3/b14-13+/t19?,20?,21?,22?,23?,24-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?/m1/s1 |
| InChIKey | NYBMVBNWOGNJQF-ORSFCLEUSA-N |
| Mol Weight | 820.0 g/mol |
| Molecular Formula | C40H69NO16 |
| Exact Mass | 819.461635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4Z3kI9lv5v |
|---|---|
| Name | 13-HYDROXY-3-DEHYDROXY-3,12-OXA-DESMYCOSIN-(3'-N-DEMETHYL)-20-DIMETHYL-ACETAL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H69NO16 |
| InChI | InChI=1S/C40H69NO16/c1-12-26-24(18-52-39-36(51-11)35(50-10)32(45)22(5)54-39)37(47)40(6)14-13-25(42)19(2)15-23(16-29(48-8)49-9)34(20(3)27(57-40)17-28(43)55-26)56-38-33(46)30(41-7)31(44)21(4)53-38/h13-14,19-24,26-27,29-39,41,44-47H,12,15-18H2,1-11H3/b14-13+/t19?,20?,21?,22?,23?,24-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?/m1/s1 |
| InChIKey | NYBMVBNWOGNJQF-ORSFCLEUSA-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 | 819.985 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7031 |