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1,10-DIOL-ISOPHOTOSANTONIN;1-ALPHA-(S),10-ALPHA-(R)-DIHYDROXY-3-OXO-11-BETA-(S)-H-4,11-(13)-GUAIEN-6-ALPHA-(S),12-OLIDE
SpectraBase Compound ID Cpbw81jev3o
InChI InChI=1S/C15H20O5/c1-7-9-4-5-14(3,18)15(19)6-10(16)8(2)11(15)12(9)20-13(7)17/h7,9,12,18-19H,4-6H2,1-3H3/t7-,9-,12-,14+,15-/m0/s1
InChIKey OMTYHDHOXQNGSH-IAJDZVHGSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmeKETNOWlF
Name 1,10-DIOL-ISOPHOTOSANTONIN;1-ALPHA-(S),10-ALPHA-(R)-DIHYDROXY-3-OXO-11-BETA-(S)-H-4,11-(13)-GUAIEN-6-ALPHA-(S),12-OLIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-7-9-4-5-14(3,18)15(19)6-10(16)8(2)11(15)12(9)20-13(7)17/h7,9,12,18-19H,4-6H2,1-3H3/t7-,9-,12-,14+,15-/m0/s1
InChIKey OMTYHDHOXQNGSH-IAJDZVHGSA-N
Literature Reference Author F.A.MACIAS,A.SANTANA,A.YAMAHATA,R.M.VARELA,F.R.FRONCZEK,J.M. G.MOLINILLO
Literature Reference Citation J.NAT.PROD.,75,1967(2012)
Literature Reference DOI 10.1021/np300639b
Molecular Weight 280.321 g/mol
Sample ID 41626
Solvent CDCl3