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Kairatenyl 3.beta.-O-palmitate
SpectraBase Compound ID BIMaMwcBtTL
InChI InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-40(47)48-39-29-31-43(6)37(42(39,4)5)28-32-46(9)38(43)27-26-36-35-24-23-30-41(2,3)44(35,7)33-34-45(36,46)8/h26,35,37-39H,10-25,27-34H2,1-9H3/t35?,37?,38?,39-,43-,44-,45+,46+/m0/s1
InChIKey LFBNQDYKXBDQSB-KCQRWDPVSA-N
Mol Weight 665.1 g/mol
Molecular Formula C46H80O2
Exact Mass 664.615832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrgtVjgdTpH
Name KAIRATENYL-3-BETA-O-PALMITATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H80O2
InChI InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-40(47)48-39-29-31-43(6)37(42(39,4)5)28-32-46(9)38(43)27-26-36-35-24-23-30-41(2,3)44(35,7)33-34-45(36,46)8/h26,35,37-39H,10-25,27-34H2,1-9H3/t35?,37?,38?,39-,43-,44-,45+,46+/m0/s1
InChIKey LFBNQDYKXBDQSB-KCQRWDPVSA-N
Literature Reference Author V.S.P.CHATURVEDULA,J.K.SCHILLING,J.S.MILLER,R.ANDRIANTSIFERA NA,V.E.RASAMISON,D.G
Literature Reference Citation J.NAT.PROD.,65,1222(2002)
Literature Reference DOI 10.1021/np0201220
Molecular Weight 665.140 g/mol
Solvent CDCl3
Source File Reference UWSI6347