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OBTSURIN-C;18-O-(E)-PARA-COUMAROYL-BEYER-15-ENE-11-BETA,18-DIOL
SpectraBase Compound ID 8cfqshXzM6a
InChI InChI=1S/C29H38O4/c1-26-15-16-29(18-26)14-11-23-27(2,12-4-13-28(23,3)25(29)22(31)17-26)19-33-24(32)10-7-20-5-8-21(30)9-6-20/h5-10,15-16,22-23,25,30-31H,4,11-14,17-19H2,1-3H3/b10-7+/t22-,23-,25+,26+,27-,28-,29+/m0/s1
InChIKey XKAZSKDUKMFVFR-GLSQWSPKSA-N
Mol Weight 450.6 g/mol
Molecular Formula C29H38O4
Exact Mass 450.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A07WA2JJwxX
Name OBTSURIN-C;18-O-(E)-PARA-COUMAROYL-BEYER-15-ENE-11-BETA,18-DIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O4
InChI InChI=1S/C29H38O4/c1-26-15-16-29(18-26)14-11-23-27(2,12-4-13-28(23,3)25(29)22(31)17-26)19-33-24(32)10-7-20-5-8-21(30)9-6-20/h5-10,15-16,22-23,25,30-31H,4,11-14,17-19H2,1-3H3/b10-7+/t22-,23-,25+,26+,27-,28-,29+/m0/s1
InChIKey XKAZSKDUKMFVFR-GLSQWSPKSA-N
Literature Reference Author H.Y.GAO,L.J.WU,N.MUTO,H.FUCHINO,T.NAKANE,O.SHIROTA,T.SANO,M. KUROYANAGI
Literature Reference Citation CHEM.PHARM.BULL.,56,1030(2008)
Literature Reference DOI 10.1248/cpb.56.1030
Molecular Weight 450.618 g/mol
Sample ID 2003
Solvent CDCl3