| SpectraBase Compound ID | Ap13uMUd88O |
|---|---|
| InChI | InChI=1S/C21H29N3O7S/c1-18(2)30-11-19(3,31-18)15(25)21-17(27)23-20(28,16(26)24-21)12(8-9-29-21)10-32-14-7-5-4-6-13(14)22/h4-7,12,15,25,28H,8-11,22H2,1-3H3,(H,23,27)(H,24,26)/t12-,15?,19?,20-,21-/m1/s1 |
| InChIKey | MSFAAFGPHFTCOG-DKKQCMJXSA-N |
| Mol Weight | 467.54 g/mol |
| Molecular Formula | C21H29N3O7S |
| Exact Mass | 467.172621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlOdY6NrE6p |
|---|---|
| Name | 5A-(2-AMINOPHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29N3O7S |
| InChI | InChI=1S/C21H29N3O7S/c1-18(2)30-11-19(3,31-18)15(25)21-17(27)23-20(28,16(26)24-21)12(8-9-29-21)10-32-14-7-5-4-6-13(14)22/h4-7,12,15,25,28H,8-11,22H2,1-3H3,(H,23,27)(H,24,26)/t12-,15?,19?,20-,21-/m1/s1 |
| InChIKey | MSFAAFGPHFTCOG-DKKQCMJXSA-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 | 467.537 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25346 |