SpectraBase Compound ID | hs0P6tqrht |
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InChI | InChI=1S/C27H30N2O7S/c1-25(34,15-30)22(31)27-24(33)28-26(35,23(32)29-27)18(10-11-36-27)13-37-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-9,12,18,22,30-31,34-35H,10-11,13-15H2,1H3,(H,28,33)(H,29,32)/t18-,22?,25?,26+,27+/m0/s1 |
InChIKey | YTTDCXITWWFVNM-NSIJDXDRSA-N |
Mol Weight | 526.6 g/mol |
Molecular Formula | C27H30N2O7S |
Exact Mass | 526.177372 g/mol |
SpectraBase Spectrum ID | X5cUdvclaA |
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Name | 5A-(ANTHRACEN-9-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
Compound Number | 14 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C27H30N2O7S |
InChI | InChI=1S/C27H30N2O7S/c1-25(34,15-30)22(31)27-24(33)28-26(35,23(32)29-27)18(10-11-36-27)13-37-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-9,12,18,22,30-31,34-35H,10-11,13-15H2,1H3,(H,28,33)(H,29,32)/t18-,22?,25?,26+,27+/m0/s1 |
InChIKey | YTTDCXITWWFVNM-NSIJDXDRSA-N |
Literature Reference Author | A.P.BROGAN,W.R.WIDGER,H.KOHN |
Literature Reference Citation | J.ORG.CHEM.,68,5575(2003) |
Literature Reference DOI | 10.1021/jo030020u |
Molecular Weight | 526.604 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWVN25386 |