| SpectraBase Compound ID | CekwUsEsOD8 |
|---|---|
| InChI | InChI=1S/C25H30N4O7S/c1-23(34,13-30)20(31)25-22(33)28-24(35,21(32)29-25)15(8-9-36-25)12-37-11-14-6-7-18-19(10-14)27-17-5-3-2-4-16(17)26-18/h2-7,10,15,20,26-27,30-31,34-35H,8-9,11-13H2,1H3,(H,28,33)(H,29,32)/t15-,20?,23?,24+,25+/m0/s1 |
| InChIKey | NJGVXYDYGZPPEV-BEWRQPOESA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C25H30N4O7S |
| Exact Mass | 530.18352 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hmIQSn0pUB |
|---|---|
| Name | 5A-(PHENAZIN-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30N4O7S |
| InChI | InChI=1S/C25H30N4O7S/c1-23(34,13-30)20(31)25-22(33)28-24(35,21(32)29-25)15(8-9-36-25)12-37-11-14-6-7-18-19(10-14)27-17-5-3-2-4-16(17)26-18/h2-7,10,15,20,26-27,30-31,34-35H,8-9,11-13H2,1H3,(H,28,33)(H,29,32)/t15-,20?,23?,24+,25+/m0/s1 |
| InChIKey | NJGVXYDYGZPPEV-BEWRQPOESA-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 | 530.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25376 |