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OREGONIN-PERACETATE

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OREGONIN-PERACETATE
SpectraBase Compound ID 4Pd3sWvAEqB
InChI InChI=1S/C38H44O17/c1-20(39)48-31-14-10-27(16-33(31)50-22(3)41)8-12-29(46)18-30(13-9-28-11-15-32(49-21(2)40)34(17-28)51-23(4)42)55-38-37(54-26(7)45)36(53-25(6)44)35(19-47-38)52-24(5)43/h10-11,14-17,30,35-38H,8-9,12-13,18-19H2,1-7H3/t30-,35+,36-,37+,38-/m1/s1
InChIKey VXWOLEXZWXTYCE-JLZVBNPWSA-N
Mol Weight 772.8 g/mol
Molecular Formula C38H44O17
Exact Mass 772.25785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbqunKLWRgi
Name OREGONIN-PERACETATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O17
InChI InChI=1S/C38H44O17/c1-20(39)48-31-14-10-27(16-33(31)50-22(3)41)8-12-29(46)18-30(13-9-28-11-15-32(49-21(2)40)34(17-28)51-23(4)42)55-38-37(54-26(7)45)36(53-25(6)44)35(19-47-38)52-24(5)43/h10-11,14-17,30,35-38H,8-9,12-13,18-19H2,1-7H3/t30-,35+,36-,37+,38-/m1/s1
InChIKey VXWOLEXZWXTYCE-JLZVBNPWSA-N
Literature Reference Author M.KUROYANAGI,M.SHIMOMAE,Y.NAGASHIMA,N.MUTO,T.OKUDA,N.KAWAHAR A,T.NAKANE,T.SANO
Literature Reference Citation CHEM.PHARM.BULL.,53,1519(2005)
Literature Reference DOI 10.1248/cpb.53.1519
Molecular Weight 772.757 g/mol
Sample ID 54633
Solvent CDCl3