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DIHYDROXY-COPAENE
SpectraBase Compound ID L4eM7ub5skk
InChI InChI=1S/C40H80O2/c1-32(2)18-11-20-34(5)22-13-24-36(7)25-14-26-37(8)28-16-30-39(41)40(10,42)31-17-29-38(9)27-15-23-35(6)21-12-19-33(3)4/h28,32-36,38-39,41-42H,11-27,29-31H2,1-10H3/b37-28+/t34-,35+,36-,38+,39+,40?/m0/s1
InChIKey JCPJYDOQISJBQF-BSFRBMPUSA-N
Mol Weight 593.1 g/mol
Molecular Formula C40H80O2
Exact Mass 592.615832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PT07HThAOR
Name DIHYDROXY-COPAENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H80O2
InChI InChI=1S/C40H80O2/c1-32(2)18-11-20-34(5)22-13-24-36(7)25-14-26-37(8)28-16-30-39(41)40(10,42)31-17-29-38(9)27-15-23-35(6)21-12-19-33(3)4/h28,32-36,38-39,41-42H,11-27,29-31H2,1-10H3/b37-28+/t34-,35+,36-,38+,39+,40?/m0/s1
InChIKey JCPJYDOQISJBQF-BSFRBMPUSA-N
Literature Reference Author V.DELAHAIS,P.METZGER
Literature Reference Citation PHYTOCHEM.,44,671(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00563-8
Molecular Weight 593.074 g/mol
Solvent CDCl3
Source File Reference UWPA230