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MACHILACTONE

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MACHILACTONE
SpectraBase Compound ID 1WGAootIG2n
InChI InChI=1S/C41H76O4/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-41(3,45-40(37)42)44-38(43-39)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h35,38-39H,4-34,36H2,1-3H3/b37-35-/t38-,39+,41-/m1/s1
InChIKey CAOCEKNEUZPZQL-QOHBMKHGSA-N
Mol Weight 633.1 g/mol
Molecular Formula C41H76O4
Exact Mass 632.574361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCH18x4dlX5
Name MACHILACTONE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H76O4
InChI InChI=1S/C41H76O4/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-41(3,45-40(37)42)44-38(43-39)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h35,38-39H,4-34,36H2,1-3H3/b37-35-/t38-,39+,41-/m1/s1
InChIKey CAOCEKNEUZPZQL-QOHBMKHGSA-N
Literature Reference Author F.C.CHEN,C.F.PENG,I.L.TSAI,I.S.CHEN
Literature Reference Citation J.NAT.PROD.,68,1318(2005)
Literature Reference DOI 10.1021/np0580210
Molecular Weight 633.052 g/mol
Solvent CDCl3
Source File Reference UWMZ13361