SpectraBase Compound ID | BTttbrw50LA |
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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 |
SpectraBase Spectrum ID | 7pKkVgmnTHe |
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Name | PJAWUYHBCUPFSV-SUHLVGPYSA-N |
Compound Number | 4 |
Copyright | Copyright © 2016-2025 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 |