John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IPwJziVhalv SpectraBase Spectrum ID=1iXUsmvdDXX

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SCUTEBARBATINE-J
SpectraBase Compound ID IPwJziVhalv
InChI InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m1/s1
InChIKey QKISVSHUNJJKNY-CZIZJKDCSA-N
Mol Weight 543.7 g/mol
Molecular Formula C30H41NO8
Exact Mass 543.283218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iXUsmvdDXX
Name SCUTEBARBATINE-J
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H41NO8
InChI InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m1/s1
InChIKey QKISVSHUNJJKNY-CZIZJKDCSA-N
Literature Reference Author S.J.DAI,D.D.LIANG,Y.REN,K.LIU,L.SHEN
Literature Reference Citation CHEM.PHARM.BULL.,56,207(2008)
Literature Reference DOI 10.1248/cpb.56.207
Molecular Weight 543.657 g/mol
Sample ID 1279
Solvent CDCl3
SpectraBase Batch ID 22K1GzHri6U