| SpectraBase Compound ID | H3HAU3I7vty |
|---|---|
| InChI | InChI=1S/C42H70N2O15S/c1-12-30-26(18-54-42-39(53-11)38(52-10)33(48)24(6)56-42)36-37(58-36)31(60-19-27(40(50)51)43-25(7)45)17-29(46)21(3)15-22(4)35(20(2)13-14-32(47)57-30)59-41-34(49)28(44(8)9)16-23(5)55-41/h13-14,20-24,26-28,30-31,33-39,41-42,48-49H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21+,22-,23-,24-,26+,27?,28+,30+,31?,33-,34+,35+,36+,37+,38-,39-,41-,42-/m0/s1 |
| InChIKey | AUJBLORQUYXAHV-VMOAKKOOSA-N |
| Mol Weight | 875.1 g/mol |
| Molecular Formula | C42H70N2O15S |
| Exact Mass | 874.449691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12PEtTaDVja |
|---|---|
| Name | MYCINAMICIN-X' |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70N2O15S |
| InChI | InChI=1S/C42H70N2O15S/c1-12-30-26(18-54-42-39(53-11)38(52-10)33(48)24(6)56-42)36-37(58-36)31(60-19-27(40(50)51)43-25(7)45)17-29(46)21(3)15-22(4)35(20(2)13-14-32(47)57-30)59-41-34(49)28(44(8)9)16-23(5)55-41/h13-14,20-24,26-28,30-31,33-39,41-42,48-49H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21+,22-,23-,24-,26+,27?,28+,30+,31?,33-,34+,35+,36+,37+,38-,39-,41-,42-/m0/s1 |
| InChIKey | AUJBLORQUYXAHV-VMOAKKOOSA-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 | 875.082 g/mol |
| Sample ID | 66590 |
| Solvent | CD3OD |