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ASTEROLAURIN_D;9-ALPHA-ACETYLXENIALACTOL
SpectraBase Compound ID JGoQpa4eLtJ
InChI InChI=1S/C22H32O5/c1-14-8-9-19-17(7-6-10-22(4,5)25)13-26-21(24)20(19)15(2)12-18(11-14)27-16(3)23/h6-7,10-11,18-21,24-25H,2,8-9,12-13H2,1,3-5H3/b10-6+,14-11+,17-7+/t18-,19+,20-,21-/m0/s1
InChIKey HQARFHQMWNQSHT-NFKWXCBYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o0hJmeydSz
Name ASTEROLAURIN_D;9-ALPHA-ACETYLXENIALACTOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-14-8-9-19-17(7-6-10-22(4,5)25)13-26-21(24)20(19)15(2)12-18(11-14)27-16(3)23/h6-7,10-11,18-21,24-25H,2,8-9,12-13H2,1,3-5H3/b10-6+,14-11+,17-7+/t18-,19+,20-,21-/m0/s1
InChIKey HQARFHQMWNQSHT-NFKWXCBYSA-N
Literature Reference Author Y.C.LIN,M.H.A.EL-RAZEK,T.L.HWANG,M.Y.CHIANG,Y.H.KUO,C.F.DAI, Y.C.SHEN
Literature Reference Citation J.NAT.PROD.,72,1911(2009)
Literature Reference DOI 10.1021/np900231e
Molecular Weight 376.493 g/mol
Sample ID 34004
Solvent CDCl3