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NEOBRITANNILACTONE_A;5-(4-O-ACETYL-1-METHYLBUTYL)-3,6-DIMETHYL-6-HYDROXY-3A,6,7,7A-TETRAHYDRO-2-(3-H)-BENZOFURANONE
SpectraBase Compound ID AkDvCctwvah
InChI InChI=1S/C17H26O5/c1-10(6-5-7-21-12(3)18)14-8-13-11(2)16(19)22-15(13)9-17(14,4)20/h8,10-11,13,15,20H,5-7,9H2,1-4H3/t10-,11+,13-,15-,17-/m1/s1
InChIKey URCJMQGGAZJGGL-GAZKHEGMSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lmi28ItbOo
Name NEOBRITANNILACTONE_A;5-(4-O-ACETYL-1-METHYLBUTYL)-3,6-DIMETHYL-6-HYDROXY-3A,6,7,7A-TETRAHYDRO-2-(3-H)-BENZOFURANONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-10(6-5-7-21-12(3)18)14-8-13-11(2)16(19)22-15(13)9-17(14,4)20/h8,10-11,13,15,20H,5-7,9H2,1-4H3/t10-,11+,13-,15-,17-/m1/s1
InChIKey URCJMQGGAZJGGL-GAZKHEGMSA-N
Literature Reference Author N.BAI,C.S.LAI,K.HE,Z.ZHOU,L.ZHANG,Z.QUAN,N.ZHU,Q.Y.ZHENG,M.H .PAN,C.T.HO
Literature Reference Citation J.NAT.PROD.,69,531(2006)
Literature Reference DOI 10.1021/np050437q
Molecular Weight 310.390 g/mol
Solvent CDCl3
Source File Reference UWMZ18145