| SpectraBase Compound ID | 76TcsoQ4GG0 |
|---|---|
| InChI | InChI=1S/C34H53ClN6O12S/c1-18(2)29(52-33-28(44)27(43)24(42)17-51-33)26(40-31(46)25(53-54(48,49)50)14-19-8-4-3-5-9-19)32(47)41-22-16-21(35)11-10-20(22)15-23(41)30(45)38-12-6-7-13-39-34(36)37/h3-5,8-9,18,20-29,33,42-44H,6-7,10-17H2,1-2H3,(H,38,45)(H,40,46)(H4,36,37,39)(H,48,49,50)/t20?,21?,22?,23?,24-,25?,26?,27+,28-,29?,33-/m0/s1 |
| InChIKey | DZCMECJEYSAXKP-QBBJTJJQSA-N |
| Mol Weight | 805.3 g/mol |
| Molecular Formula | C34H53ClN6O12S |
| Exact Mass | 804.31307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cMmqWjIEaT |
|---|---|
| Name | AERUGINOSIN-205A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53ClN6O12S |
| InChI | InChI=1S/C34H53ClN6O12S/c1-18(2)29(52-33-28(44)27(43)24(42)17-51-33)26(40-31(46)25(53-54(48,49)50)14-19-8-4-3-5-9-19)32(47)41-22-16-21(35)11-10-20(22)15-23(41)30(45)38-12-6-7-13-39-34(36)37/h3-5,8-9,18,20-29,33,42-44H,6-7,10-17H2,1-2H3,(H,38,45)(H,40,46)(H4,36,37,39)(H,48,49,50)/t20?,21?,22?,23?,24-,25?,26?,27+,28-,29?,33-/m0/s1 |
| InChIKey | DZCMECJEYSAXKP-QBBJTJJQSA-N |
| Literature Reference Author | H.J.SHIN,H.MATSUDA,M.MURAKAMI,K.YAMAGUCHI |
| Literature Reference Citation | J.ORG.CHEM.,62,1810(1997) |
| Literature Reference DOI | 10.1021/jo961902e |
| Molecular Weight | 805.341 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS23574 |