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PHYLLOSPINARONE;7A,11-DIHYDROXY-9-HYDROXYMETHYL-1,2,3,4,4A,5,6,7,7A,12,12B-UNDECAHYDRO-4,4,12B-TRIMETHYLBENZ-[A]-ANTHRACEN-8-ONE
SpectraBase Compound ID 5EnkiGAyG8T
InChI InChI=1S/C22H30O4/c1-20(2)7-4-8-21(3)15-10-16-17(24)9-14(12-23)19(25)22(16,26)11-13(15)5-6-18(20)21/h9,18,23-24,26H,4-8,10-12H2,1-3H3/t18-,21+,22?/m0/s1
InChIKey NCQRNRZCIOFQIE-UTCGOKLKSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pkZP4DTDeV
Name PHYLLOSPINARONE;7A,11-DIHYDROXY-9-HYDROXYMETHYL-1,2,3,4,4A,5,6,7,7A,12,12B-UNDECAHYDRO-4,4,12B-TRIMETHYLBENZ-[A]-ANTHRACEN-8-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-20(2)7-4-8-21(3)15-10-16-17(24)9-14(12-23)19(25)22(16,26)11-13(15)5-6-18(20)21/h9,18,23-24,26H,4-8,10-12H2,1-3H3/t18-,21+,22?/m0/s1
InChIKey NCQRNRZCIOFQIE-UTCGOKLKSA-N
Literature Reference Author E.M.K.WIJERATNE,P.A.PARANAGAMA,M.T.MARRON,M.K.GUNATILAKA,A.E .ARNOLD,A.A.L.GUNATI
Literature Reference Citation J.NAT.PROD.,71,218(2008)
Literature Reference DOI 10.1021/np070600c
Molecular Weight 358.478 g/mol
Sample ID 27421
Solvent ACETONE-D6