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SIPHOLENONE_K
SpectraBase Compound ID LJWb60DXfFN
InChI InChI=1S/C30H50O5/c1-18-19(25-20(17-21(18)31)29(7,33)16-15-26(25,2)3)9-10-22-28(6)13-11-23(32)27(4,5)35-24(28)12-14-30(22,8)34/h20,22-25,32-34H,9-17H2,1-8H3/t20-,22-,23-,24-,25+,28-,29-,30-/m0/s1
InChIKey AJXZQEWVCRNBOL-APVYCEMNSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID i1YXEtNBj3
Name SIPHOLENONE_K
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-18-19(25-20(17-21(18)31)29(7,33)16-15-26(25,2)3)9-10-22-28(6)13-11-23(32)27(4,5)35-24(28)12-14-30(22,8)34/h20,22-25,32-34H,9-17H2,1-8H3/t20-,22-,23-,24-,25+,28-,29-,30-/m0/s1
InChIKey AJXZQEWVCRNBOL-APVYCEMNSA-N
Literature Reference Author S.JAIN,I.ABRAHAM,P.CARVALHO,Y.H.KUANG,L.A.SHAALA,D.T.A.YOUSS EF,M.A.AVERY,Z.S.CHE
Literature Reference Citation J.NAT.PROD.,72,1291(2009)
Literature Reference DOI 10.1021/np900091y
Molecular Weight 490.724 g/mol
Sample ID 33199
Solvent CDCl3