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THUNBEROL;24-ETHYLCHOLESTA-2,5,24(28)-TRIEN-3-OL-4-ONE
SpectraBase Compound ID 6rtmchuQP9M
InChI InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(31)26(30)15-17-29(25,6)24(21)14-16-28(22,23)5/h7,11,15,18-19,21-24,30H,8-10,12-14,16-17H2,1-6H3/b20-7+/t19-,21+,22-,23+,24+,28-,29-/m1/s1
InChIKey CMLZDKDAKFTMCR-DOEXTEKNSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7k8GgqbCte2
Name THUNBEROL;24-ETHYLCHOLESTA-2,5,24(28)-TRIEN-3-OL-4-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(31)26(30)15-17-29(25,6)24(21)14-16-28(22,23)5/h7,11,15,18-19,21-24,30H,8-10,12-14,16-17H2,1-6H3/b20-7+/t19-,21+,22-,23+,24+,28-,29-/m1/s1
InChIKey CMLZDKDAKFTMCR-DOEXTEKNSA-N
Literature Reference Author W.F.HE,L.G.YAO,H.L.LIU,Y.W.GUO
Literature Reference Citation J.AS.NAT.PROD.RES.,16,685(2014)
Literature Reference DOI 10.1080/10286020.2014.924511
Molecular Weight 424.667 g/mol
Solvent CDCl3
Source File Reference UWPA9189