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MYROCIN_A;4,9A-DIHYDROXY-3,7-DIMETHYL-5,9-DIOXO-7-VINYL-1,2,3,5,7,8,9,9A,10,10A-DECAHYDROCYClOPROPA-[D]-PHENANTHRENE-3-CARBOXYLIC_ACID

View entire compound with spectra: 1 NMR

MYROCIN_A;4,9A-DIHYDROXY-3,7-DIMETHYL-5,9-DIOXO-7-VINYL-1,2,3,5,7,8,9,9A,10,10A-DECAHYDROCYClOPROPA-[D]-PHENANTHRENE-3-CARBOXYLIC_ACID
SpectraBase Compound ID 2mH7NGZKWAK
InChI InChI=1S/C20H22O6/c1-4-17(2)8-11-13(22)14(23)15-18(3,16(24)25)6-5-10-7-19(10,15)20(11,26)12(21)9-17/h4,8,10,23,26H,1,5-7,9H2,2-3H3,(H,24,25)/t10-,17+,18-,19-,20-/m1/s1
InChIKey XKJPVKHJPNQLKG-KPHJKFSFSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KQSZ0hY4i0
Name MYROCIN_A;4,9A-DIHYDROXY-3,7-DIMETHYL-5,9-DIOXO-7-VINYL-1,2,3,5,7,8,9,9A,10,10A-DECAHYDROCYClOPROPA-[D]-PHENANTHRENE-3-CARBOXYLIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-4-17(2)8-11-13(22)14(23)15-18(3,16(24)25)6-5-10-7-19(10,15)20(11,26)12(21)9-17/h4,8,10,23,26H,1,5-7,9H2,2-3H3,(H,24,25)/t10-,17+,18-,19-,20-/m1/s1
InChIKey XKJPVKHJPNQLKG-KPHJKFSFSA-N
Literature Reference Author C.KLEMKE,S.KEHRAUS,A.D.WRIGHT,G.M.KOENIG
Literature Reference Citation J.NAT.PROD.,67,1058(2004)
Literature Reference DOI 10.1021/np034061x
Molecular Weight 358.391 g/mol
Solvent CD3OD
Source File Reference UWMZ5822