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BOMBIPRENONE;(5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-OCTAMETHYLPENTATRIACONTA-5,9,13,17,21,25,29,33-OCTAEN-2-ONE

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BOMBIPRENONE;(5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-OCTAMETHYLPENTATRIACONTA-5,9,13,17,21,25,29,33-OCTAEN-2-ONE
SpectraBase Compound ID C3uQDNYA7RN
InChI InChI=1S/C43H70O/c1-35(2)19-11-20-36(3)21-12-22-37(4)23-13-24-38(5)25-14-26-39(6)27-15-28-40(7)29-16-30-41(8)31-17-32-42(9)33-18-34-43(10)44/h19,21,23,25,27,29,31,33H,11-18,20,22,24,26,28,30,32,34H2,1-10H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+
InChIKey RPUKUBKVRRNJDI-WDXILIIOSA-N
Mol Weight 603.0 g/mol
Molecular Formula C43H70O
Exact Mass 602.542667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6EKD8KfjQOU
Name BOMBIPRENONE;(5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-OCTAMETHYLPENTATRIACONTA-5,9,13,17,21,25,29,33-OCTAEN-2-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H70O
InChI InChI=1S/C43H70O/c1-35(2)19-11-20-36(3)21-12-22-37(4)23-13-24-38(5)25-14-26-39(6)27-15-28-40(7)29-16-30-41(8)31-17-32-42(9)33-18-34-43(10)44/h19,21,23,25,27,29,31,33H,11-18,20,22,24,26,28,30,32,34H2,1-10H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+
InChIKey RPUKUBKVRRNJDI-WDXILIIOSA-N
Literature Reference Author M.H.T.TUNG,H.V.DUC,T.T.HOUNG,N.T.DUONG,D.T.PHUONG,D.T.THAO,B .H.TAI,Y.H.KIM,T.T.B
Literature Reference Citation SCI.PHARM.,81,819(2013)
Literature Reference DOI 10.3797/scipharm.1206-02
Molecular Weight 603.028 g/mol
Sample ID 73600
Solvent CDCl3