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12-DEACETOXY-12-OXODEOXOSCALARIN
SpectraBase Compound ID BZZ7OgO8TOx
InChI InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)16(22)9-12-24(4)17-8-7-15-14-28-21(27)20(15)25(17,5)19(26)13-18(23)24/h7,16-18,20-21,27H,6,8-14H2,1-5H3/t16-,17-,18+,20+,21+,23-,24-,25+/m0/s1
InChIKey ZRXRKRLYCFJQQM-YDLFGQCFSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SRZ3lUGMGp
Name 12-DEACETOXY-12-OXODEOXOSCALARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)16(22)9-12-24(4)17-8-7-15-14-28-21(27)20(15)25(17,5)19(26)13-18(23)24/h7,16-18,20-21,27H,6,8-14H2,1-5H3/t16-,17-,18+,20+,21+,23-,24-,25+/m0/s1
InChIKey ZRXRKRLYCFJQQM-YDLFGQCFSA-N
Literature Reference Author A.FONTANA,P.CAVALIERE,N.UNGUR,L.D'SOUZA,P.S.PARAMESWARAM,G.C IMINO
Literature Reference Citation J.NAT.PROD.,62,1367(1999)
Literature Reference DOI 10.1021/np9900932
Molecular Weight 386.575 g/mol
Solvent CDCl3
Source File Reference UWCS20822