| SpectraBase Compound ID | BTttbrw50LA |
|---|---|
| InChI | InChI=1S/C29H45NO3/c1-20-7-10-23(31)19-22(20)9-11-24-26-13-12-25(29(26,3)16-15-27(24)32)21(2)8-14-28(33)30-17-5-4-6-18-30/h7,9,11,21,23,25-27,31-32H,4-6,8,10,12-19H2,1-3H3/b22-9+,24-11-/t21-,23-,25+,26?,27?,29+/m0/s1 |
| InChIKey | PJAWUYHBCUPFSV-SUHLVGPYSA-N |
| Mol Weight | 455.7 g/mol |
| Molecular Formula | C29H45NO3 |
| Exact Mass | 455.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pKkVgmnTHe |
|---|---|
| Name | PJAWUYHBCUPFSV-SUHLVGPYSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H45NO3 |
| InChI | InChI=1S/C29H45NO3/c1-20-7-10-23(31)19-22(20)9-11-24-26-13-12-25(29(26,3)16-15-27(24)32)21(2)8-14-28(33)30-17-5-4-6-18-30/h7,9,11,21,23,25-27,31-32H,4-6,8,10,12-19H2,1-3H3/b22-9+,24-11-/t21-,23-,25+,26?,27?,29+/m0/s1 |
| InChIKey | PJAWUYHBCUPFSV-SUHLVGPYSA-N |
| Literature Reference Author | F.ZHANG,M.NUNES,B.SEGMULLER,R.DUNPHY,R.H.HESSE,S.K.S.SETTY |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,40,850(2006) |
| Literature Reference DOI | 10.1016/j.jpba.2005.07.052 |
| Molecular Weight | 455.681 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWDB44 |