| SpectraBase Compound ID | hs0P6tqrht |
|---|---|
| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bPHC7m2akw |
|---|---|
| Name | 5A-(ANTHRACEN-9-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-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 | UWVN25387 |