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ONCOCALYXONE-A;REL-8-ALPHA-HYDROXY-5-HYDROXYMETHYL-2-METHOXY-8A,BETA-METHYL-7,8,8A,9-TETRAHYDRO-1,4-ANTHRACENEDIONE
SpectraBase Compound ID Bj4fQK1OGjF
InChI InChI=1S/C17H18O5/c1-17-7-11-10(13(19)6-14(22-2)16(11)21)5-12(17)9(8-18)3-4-15(17)20/h3,5-6,15,18,20H,4,7-8H2,1-2H3/t15-,17+/m1/s1
InChIKey MRGIIGDGPRVYJG-WBVHZDCISA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6S7KClmFweD
Name ONCOCALYXONE-A;REL-8-ALPHA-HYDROXY-5-HYDROXYMETHYL-2-METHOXY-8A-BETA-METHYL-7,8,8A,9-TETRAHYDRO-1,4-ANTHRACENE-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-17-7-11-10(13(19)6-14(22-2)16(11)21)5-12(17)9(8-18)3-4-15(17)20/h3,5-6,15,18,20H,4,7-8H2,1-2H3/t15-,17+/m1/s1
InChIKey MRGIIGDGPRVYJG-WBVHZDCISA-N
Literature Reference Author C.D.O.COSTA,A.A.D.SOUZA,R.D.C.S.LUZ,T.L.G.LEMOS,O.D.L.PESSOA ,L.T.KUBOTA
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,697(2008)
Literature Reference DOI 10.1590/s0103-50532008000400013
Molecular Weight 302.327 g/mol
Source File Reference UWIR5220