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MITISSIMOL_A;3-E,6-E,10-E-HUMULATRIEN-1-ALPHA-OL-5-ONE
SpectraBase Compound ID HFm8mRSehrS
InChI InChI=1S/C15H22O2/c1-11-6-5-7-12(2)13(16)8-9-15(3,4)14(17)10-11/h7-10,14,17H,5-6H2,1-4H3/b9-8+,11-10+,12-7+/t14-/m1/s1
InChIKey PXEHDVGCVODKBI-VUKKCRPLSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0jgqsvJ65i
Name MITISSIMOL_A;3-E,6-E,10-E-HUMULATRIEN-1-ALPHA-OL-5-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-11-6-5-7-12(2)13(16)8-9-15(3,4)14(17)10-11/h7-10,14,17H,5-6H2,1-4H3/b9-8+,11-10+,12-7+/t14-/m1/s1
InChIKey PXEHDVGCVODKBI-VUKKCRPLSA-N
Literature Reference Author D.Q.LUO,Y.GAO,J.M.GAO,F.WANG,X.L.YANG,J.K.LIU
Literature Reference Citation J.NAT.PROD.,69,1354(2006)
Literature Reference DOI 10.1021/np060153l
Molecular Weight 234.338 g/mol
Solvent CDCl3
Source File Reference UWMZ15702