| SpectraBase Compound ID | It87owc4rOO |
|---|---|
| InChI | InChI=1S/C42H70N2O16S/c1-12-30-42(52,19-55-41-37(54-11)36(53-10)32(48)24(6)57-41)38-35(59-38)29(61-18-26(39(50)51)43-25(7)45)17-28(46)21(3)15-22(4)34(20(2)13-14-31(47)58-30)60-40-33(49)27(44(8)9)16-23(5)56-40/h13-14,20-24,26-27,29-30,32-38,40-41,48-49,52H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21+,22-,23-,24-,26?,27+,29?,30+,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m0/s1 |
| InChIKey | UGQQQUPACCVGRT-VUKDRMFMSA-N |
| Mol Weight | 891.1 g/mol |
| Molecular Formula | C42H70N2O16S |
| Exact Mass | 890.444605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiQs2KUupz0 |
|---|---|
| Name | MYCINAMICIN-XI |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70N2O16S |
| InChI | InChI=1S/C42H70N2O16S/c1-12-30-42(52,19-55-41-37(54-11)36(53-10)32(48)24(6)57-41)38-35(59-38)29(61-18-26(39(50)51)43-25(7)45)17-28(46)21(3)15-22(4)34(20(2)13-14-31(47)58-30)60-40-33(49)27(44(8)9)16-23(5)56-40/h13-14,20-24,26-27,29-30,32-38,40-41,48-49,52H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21+,22-,23-,24-,26?,27+,29?,30+,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m0/s1 |
| InChIKey | UGQQQUPACCVGRT-VUKDRMFMSA-N |
| Literature Reference Author | K.KINOSHITA,S.TAKENAKA,M.HAYASHI |
| Literature Reference Citation | J.ANTIBIOTICS,44,1270(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1270 |
| Molecular Weight | 891.082 g/mol |
| Sample ID | 66592 |
| Solvent | CD3OD |