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XRGDGHHDDCNKMR-UDTCODANSA-N
SpectraBase Compound ID CQ2IUrRLwE7
InChI InChI=1S/C29H41BO/c1-17(19-11-9-8-10-12-19)26-29(7)24-15-21(28(24,5)6)16-25(29)30(31-26)23-14-20-13-22(18(23)2)27(20,3)4/h8-12,18,20-26H,1,13-16H2,2-7H3/t18-,20+,21-,22-,23-,24-,25+,26+,29-/m0/s1
InChIKey XRGDGHHDDCNKMR-UDTCODANSA-N
Mol Weight 416.5 g/mol
Molecular Formula C29H41BO
Exact Mass 416.325046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j3lX3wWCSW
Name XRGDGHHDDCNKMR-UDTCODANSA-N
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H41BO
InChI InChI=1S/C29H41BO/c1-17(19-11-9-8-10-12-19)26-29(7)24-15-21(28(24,5)6)16-25(29)30(31-26)23-14-20-13-22(18(23)2)27(20,3)4/h8-12,18,20-26H,1,13-16H2,2-7H3/t18-,20+,21-,22-,23-,24-,25+,26+,29-/m0/s1
InChIKey XRGDGHHDDCNKMR-UDTCODANSA-N
Literature Reference Author J.BARLUENGA,F.RODRIGUEZ,J.VADECARD,M.BENDIX,F.J.FANANAS,F.LO PEZ-ORTIZ
Literature Reference Citation J.AM.CHEM.SOC.,118,6090(1996)
Literature Reference DOI 10.1021/ja954327p
Molecular Weight 416.454 g/mol
Sample ID 36811
Solvent CDCl3