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12-DEACETOXY-23-ACETOXYSCALARIN

View entire compound with spectra: 1 NMR

12-DEACETOXY-23-ACETOXYSCALARIN
SpectraBase Compound ID 4hrjfrHrMUt
InChI InChI=1S/C27H40O5/c1-16(28)31-15-27-12-6-11-24(2,3)18(27)9-13-25(4)19-8-7-17-21(23(30)32-22(17)29)26(19,5)14-10-20(25)27/h7,18-21,23,30H,6,8-15H2,1-5H3/t18?,19?,20?,21-,23-,25+,26+,27-/m1/s1
InChIKey NQUDADRZXBXFOV-GAIYNPHESA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H40O5
Exact Mass 444.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oZ93Q0QmvM
Name 12-DEACETOXY-23-ACETOXYSCALARIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O5
InChI InChI=1S/C27H40O5/c1-16(28)31-15-27-12-6-11-24(2,3)18(27)9-13-25(4)19-8-7-17-21(23(30)32-22(17)29)26(19,5)14-10-20(25)27/h7,18-21,23,30H,6,8-15H2,1-5H3/t18?,19?,20?,21-,23-,25+,26+,27-/m1/s1
InChIKey NQUDADRZXBXFOV-GAIYNPHESA-N
Literature Reference Author J.R.RHO,H.S.LEE,H.J.SHIN,J.W.AHN,J.Y.KIM,C.J.SIM,J.SHIN
Literature Reference Citation J.NAT.PROD.,67,1748(2004)
Literature Reference DOI 10.1021/np040103l
Molecular Weight 444.612 g/mol
Solvent CDCl3
Source File Reference UWMZ6622