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3-BETA-ACETOXY-19-HYDROXYSPONGIA-13,16-(24)-DIEN-2-ONE
SpectraBase Compound ID EVvk84aTK31
InChI InChI=1S/C22H30O5/c1-13(24)27-19-16(25)9-21(3)17-6-5-14-10-26-11-15(14)20(17,2)8-7-18(21)22(19,4)12-23/h10-11,17-19,23H,5-9,12H2,1-4H3/t17?,18?,19-,20+,21-,22-/m1/s1
InChIKey RXAHIJGRSQAORT-LMTUPJBHSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbJt9A5nTAb
Name 3-BETA-ACETOXY-19-HYDROXYSPONGIA-13,16-(24)-DIEN-2-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-13(24)27-19-16(25)9-21(3)17-6-5-14-10-26-11-15(14)20(17,2)8-7-18(21)22(19,4)12-23/h10-11,17-19,23H,5-9,12H2,1-4H3/t17?,18?,19-,20+,21-,22-/m1/s1
InChIKey RXAHIJGRSQAORT-LMTUPJBHSA-N
Literature Reference Author M.J.SOMERVILLE,E.MOLLO,G.CIMINO,W.RUNGPROM,M.J.GARSON
Literature Reference Citation J.NAT.PROD.,69,1086(2006)
Literature Reference DOI 10.1021/np060002i
Molecular Weight 374.477 g/mol
Solvent CDCl3
Source File Reference UWMZ19011