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2-ALPHA-METHYL-17-ALPHA(H),21-BETA(H)-HOPANE
SpectraBase Compound ID ItrdfEBu3qL
InChI InChI=1S/C31H54/c1-20(2)22-12-15-28(6)23(22)13-16-30(8)25(28)10-11-26-29(7)19-21(3)18-27(4,5)24(29)14-17-31(26,30)9/h20-26H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,26+,28-,29-,30+,31+/m0/s1
InChIKey VPXVCNGUWRQVJC-QBGFEAFCSA-N
Mol Weight 426.8 g/mol
Molecular Formula C31H54
Exact Mass 426.422552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9w17nBTqAmf
Name 2-ALPHA-METHYL-17-ALPHA(H),21-BETA(H)-HOPANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H54
InChI InChI=1S/C31H54/c1-20(2)22-12-15-28(6)23(22)13-16-30(8)25(28)10-11-26-29(7)19-21(3)18-27(4,5)24(29)14-17-31(26,30)9/h20-26H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,26+,28-,29-,30+,31+/m0/s1
InChIKey VPXVCNGUWRQVJC-QBGFEAFCSA-N
Literature Reference Author G.KILDAHL-ANDERSEN,H.P.NYTOFT,J.E.JOHANSEN
Literature Reference Citation MAGN.RES.CHEM.,48,951(2010)
Literature Reference DOI 10.1002/mrc.2688
Molecular Weight 426.770 g/mol
Solvent CDCl3
Source File Reference UWIR16782