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12-DEACETYL-12-EPI-19-DEOXYSCALARIN
SpectraBase Compound ID 3KFF1eKNrqa
InChI InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17-,18-,19+,20+,23-,24-,25+/m0/s1
InChIKey XJAQPGLKAWWKLX-JBPGZYRBSA-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 Zn3Qp7oZhB
Name 12-DEACETYL-12-EPI-19-DEOXYSCALARIN
Compound Number 7
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)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17-,18-,19+,20+,23-,24-,25+/m0/s1
InChIKey XJAQPGLKAWWKLX-JBPGZYRBSA-N
Literature Reference Author S.N.WONGANUCHITMETA,S.YUENYONGSAWAD,N.KEAWPRADUB,A.PLUBRUKAR N
Literature Reference Citation J.NAT.PROD.,67,1767(2004)
Literature Reference DOI 10.1021/np0498354
Molecular Weight 386.575 g/mol
Solvent C6D6
Source File Reference UWMZ6641