SpectraBase Compound ID | 76TcsoQ4GG0 |
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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 |
SpectraBase Spectrum ID | 7XGnZx6FvSD |
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Name | AERUGINOSIN-205B |
Compound Number | 2 |
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 | UWCS23575 |