| SpectraBase Compound ID | 87UWcZr6PzC |
|---|---|
| InChI | InChI=1S/C41H43N5O12/c1-54-27-15-13-26(14-16-27)41(24-9-5-3-6-10-24,25-11-7-4-8-12-25)56-23-30-28(36(55-2)38(58-30)46-20-18-32(48)44-40(46)53)22-42-33(49)21-29-34(50)35(51)37(57-29)45-19-17-31(47)43-39(45)52/h3-20,28-30,34-38,50-51H,21-23H2,1-2H3,(H,42,49)(H,43,47,52)(H,44,48,53)/t28-,29+,30-,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | MPCMIWXCYSUPCS-OMVZFBEBSA-N |
| Mol Weight | 797.8 g/mol |
| Molecular Formula | C41H43N5O12 |
| Exact Mass | 797.290822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cvw3Rbr9HEj |
|---|---|
| Name | MPCMIWXCYSUPCS-OMVZFBEBSA-N |
| Compound Number | 19B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H43N5O12 |
| InChI | InChI=1S/C41H43N5O12/c1-54-27-15-13-26(14-16-27)41(24-9-5-3-6-10-24,25-11-7-4-8-12-25)56-23-30-28(36(55-2)38(58-30)46-20-18-32(48)44-40(46)53)22-42-33(49)21-29-34(50)35(51)37(57-29)45-19-17-31(47)43-39(45)52/h3-20,28-30,34-38,50-51H,21-23H2,1-2H3,(H,42,49)(H,43,47,52)(H,44,48,53)/t28-,29+,30-,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | MPCMIWXCYSUPCS-OMVZFBEBSA-N |
| Literature Reference Author | E.ROZNERS,D.KATKEVICA,E.BIZDENA,R.STROEMBERG |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,12125(2003) |
| Literature Reference DOI | 10.1021/ja0360900 |
| Molecular Weight | 797.819 g/mol |
| Sample ID | 50626 |
| Solvent | DMSO-D6 |