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3'.alpha.-[Olean-12-ene-28-oyl-3.beta.-oxy]-dihydronepetalactone
SpectraBase Compound ID E63xr3wQFxY
InChI InChI=1S/C40H62O5/c1-23-10-11-25-24(2)33(45-32(41)31(23)25)44-30-15-16-37(7)28(36(30,5)6)14-17-39(9)29(37)13-12-26-27-22-35(3,4)18-20-40(27,34(42)43)21-19-38(26,39)8/h12,23-25,27-31,33H,10-11,13-22H2,1-9H3,(H,42,43)/t23-,24-,25?,27?,28?,29?,30-,31+,33-,37-,38+,39+,40-/m0/s1
InChIKey GYCDWUMJRWZWNJ-ABEXFMHESA-N
Mol Weight 622.9 g/mol
Molecular Formula C40H62O5
Exact Mass 622.459725 g/mol
Enantiomer InChIKey GYCDWUMJRWZWNJ-PVPWANHPSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Constituents of Nepeta caesarea Journal of Natural Products 2000
Unknown Identification

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