| SpectraBase Compound ID | IDlVGu5Lc4C |
|---|---|
| InChI | InChI=1S/C39H53N5O11S/c45-19-29-33(47)34(48)35(49)37(55-29)53-18-17-41-36(50)27(43-39(52)54-20-26-24-11-3-1-9-22(24)23-10-2-4-12-25(23)26)13-7-8-16-40-31(46)15-6-5-14-30-32-28(21-56-30)42-38(51)44-32/h1-4,9-12,26-30,32-35,37,45,47-49H,5-8,13-21H2,(H,40,46)(H,41,50)(H,43,52)(H2,42,44,51)/t27?,28?,29-,30-,32?,33-,34+,35+,37+/m0/s1 |
| InChIKey | IACVTUPUHDYDSA-LYVUKURDSA-N |
| Mol Weight | 799.9 g/mol |
| Molecular Formula | C39H53N5O11S |
| Exact Mass | 799.346229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hJxGKOzBpX |
|---|---|
| Name | IACVTUPUHDYDSA-LYVUKURDSA-N |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H53N5O11S |
| InChI | InChI=1S/C39H53N5O11S/c45-19-29-33(47)34(48)35(49)37(55-29)53-18-17-41-36(50)27(43-39(52)54-20-26-24-11-3-1-9-22(24)23-10-2-4-12-25(23)26)13-7-8-16-40-31(46)15-6-5-14-30-32-28(21-56-30)42-38(51)44-32/h1-4,9-12,26-30,32-35,37,45,47-49H,5-8,13-21H2,(H,40,46)(H,41,50)(H,43,52)(H2,42,44,51)/t27?,28?,29-,30-,32?,33-,34+,35+,37+/m0/s1 |
| InChIKey | IACVTUPUHDYDSA-LYVUKURDSA-N |
| Literature Reference Author | M.WIEGAND,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,4841(2006) |
| Molecular Weight | 799.937 g/mol |
| Sample ID | 44317 |
| Solvent | CD3OD |