| SpectraBase Compound ID | KSENXRrAepb |
|---|---|
| InChI | InChI=1S/C50H87ClN12O19/c1-4-6-7-8-9-10-11-12-15-33(66)34(67)23-36(69)55-32-25-82-50(81)38(35(68)24-51)62-48(78)39(40(70)49(79)80)63-41(71)27(5-2)56-47(77)37(26(3)65)61-45(75)28(14-13-19-52)57-44(74)31(18-22-64)60-43(73)29(16-20-53)58-42(72)30(17-21-54)59-46(32)76/h5,26,28-35,37-40,64-68,70H,4,6-25,52-54H2,1-3H3,(H,55,69)(H,56,77)(H,57,74)(H,58,72)(H,59,76)(H,60,73)(H,61,75)(H,62,78)(H,63,71)(H,79,80)/b27-5+ |
| InChIKey | FXAAMFXCTWRSIJ-FZXKJZBHSA-N |
| Mol Weight | 1195.8 g/mol |
| Molecular Formula | C50H87ClN12O19 |
| Exact Mass | 1194.589896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dad5YORTsTi |
|---|---|
| Name | Syringostatin B |
| Comments | CD3CN/H20 7/2 AS SOLVENT, BRUKER AM-600 OR ACP-300 SPECTROMETER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C50H87ClN12O19 |
| InChI | InChI=1S/C50H87ClN12O19/c1-4-6-7-8-9-10-11-12-15-33(66)34(67)23-36(69)55-32-25-82-50(81)38(35(68)24-51)62-48(78)39(40(70)49(79)80)63-41(71)27(5-2)56-47(77)37(26(3)65)61-45(75)28(14-13-19-52)57-44(74)31(18-22-64)60-43(73)29(16-20-53)58-42(72)30(17-21-54)59-46(32)76/h5,26,28-35,37-40,64-68,70H,4,6-25,52-54H2,1-3H3,(H,55,69)(H,56,77)(H,57,74)(H,58,72)(H,59,76)(H,60,73)(H,61,75)(H,62,78)(H,63,71)(H,79,80)/b27-5+ |
| InChIKey | FXAAMFXCTWRSIJ-FZXKJZBHSA-N |
| Instrument Name | see comment |
| Literature Reference | N. Fukuchi, A. Isogai, J. Nakayama, J. Chem. Soc. Perkin I 875 (1992). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |