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(1S,5S,6R,7S,10S)-5-ANGELOYLOXY-1-HYDROXY-2-OXO-XANTHA-3,11-DIEN-6,12-OLIDE
SpectraBase Compound ID C0xbCB2e1UD
InChI InChI=1S/C20H26O6/c1-6-8-15(21)20(24)12(4)9-10-14-13(5)19(23)25-16(14)17(20)26-18(22)11(3)7-2/h6-8,12,14,16-17,24H,5,9-10H2,1-4H3/b8-6+,11-7-/t12-,14?,16+,17-,20+/m1/s1
InChIKey WZMSNQSBWAAHTM-IJRWURORSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2ljurlrCbm
Name (1S,5S,6R,7S,10S)-5-ANGELOYLOXY-1-HYDROXY-2-OXO-XANTHA-3,11-DIEN-6,12-OLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-6-8-15(21)20(24)12(4)9-10-14-13(5)19(23)25-16(14)17(20)26-18(22)11(3)7-2/h6-8,12,14,16-17,24H,5,9-10H2,1-4H3/b8-6+,11-7-/t12-,14?,16+,17-,20+/m1/s1
InChIKey WZMSNQSBWAAHTM-IJRWURORSA-N
Literature Reference Author B.CUI,Y.H.LEE,H.CHAI,J.C.TUCKER,C.R.FAIRCHILD,C.RAVENTOS-SUA REZ,B.LONG,K.E.LANE,
Literature Reference Citation J.NAT.PROD.,62,1545(1999)
Literature Reference DOI 10.1021/np990260y
Molecular Weight 362.423 g/mol
Solvent CDCl3
Source File Reference WANG1743