John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=B2VTIocZZnz SpectraBase Spectrum ID=2V7wWmumZH8

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SENEGALENE_A
SpectraBase Compound ID B2VTIocZZnz
InChI InChI=1S/C34H56O5/c1-9-10-19-38-29-21(20-25(39-29)28(36)31(4,5)37)22-13-17-34(8)24-11-12-26-30(2,3)27(35)15-16-32(26,6)23(24)14-18-33(22,34)7/h11,21-23,25-26,28-29,36-37H,9-10,12-20H2,1-8H3/t21-,22+,23+,25+,26+,28+,29-,32-,33+,34-/m1/s1
InChIKey RKDFOKYMJHCECU-MEOSFFSSSA-N
Mol Weight 544.8 g/mol
Molecular Formula C34H56O5
Exact Mass 544.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2V7wWmumZH8
Name SENEGALENE_A
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H56O5
InChI InChI=1S/C34H56O5/c1-9-10-19-38-29-21(20-25(39-29)28(36)31(4,5)37)22-13-17-34(8)24-11-12-26-30(2,3)27(35)15-16-32(26,6)23(24)14-18-33(22,34)7/h11,21-23,25-26,28-29,36-37H,9-10,12-20H2,1-8H3/t21-,22+,23+,25+,26+,28+,29-,32-,33+,34-/m1/s1
InChIKey RKDFOKYMJHCECU-MEOSFFSSSA-N
Literature Reference Author T.YUAN,C.R.ZHANG,S.P.YANG,J.M.YUE
Literature Reference Citation J.NAT.PROD.,73,669(2010)
Literature Reference DOI 10.1021/np1000158
Molecular Weight 544.816 g/mol
Sample ID 35316
Solvent CDCl3
SpectraBase Batch ID Bb2lhFf9NIg